Cas no 1951425-16-3 ((S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride)

(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride is a chiral pyrrolidine derivative featuring difluoromethyl and fluoromethyl substituents, enhancing its utility in medicinal chemistry and asymmetric synthesis. The presence of fluorine atoms improves metabolic stability and bioavailability, making it a valuable intermediate for pharmaceutical applications. Its hydrochloride salt form ensures improved solubility and handling properties. The stereospecific (S)-configuration is critical for enantioselective synthesis, particularly in the development of bioactive compounds. This compound is commonly employed in the synthesis of fluorinated analogs of drug candidates, leveraging fluorine's unique electronic and steric effects to optimize binding affinity and pharmacokinetics. High purity and well-defined stereochemistry ensure reproducibility in research and industrial applications.
(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride structure
1951425-16-3 structure
Product Name:(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride
CAS No:1951425-16-3
MF:C5H9ClF3N
MW:175.579870939255
MDL:MFCD28119141
CID:4632814
PubChem ID:118798625
Update Time:2025-08-05

(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-4,4-Difluoro-2-(Fluoromethyl)Pyrrolidine Hydrochloride(WX601522)
    • (S)-4,4-DIFLUORO-2-(FLUOROMETHYL)PYRROLIDINE HCL
    • (S)-4,4-Difluoro-2-(Fluoromethyl)Pyrrolidine Hydrochloride
    • (S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidinehydrochloride
    • AKOS027256223
    • 1951425-16-3
    • (2S)-4,4-difluoro-2-(fluoromethyl)pyrrolidine;hydrochloride
    • (2S)-4,4-DIFLUORO-2-(FLUOROMETHYL)PYRROLIDINE HYDROCHLORIDE
    • KDEBIGUTHLUDOJ-WCCKRBBISA-N
    • SCHEMBL20768254
    • AS-70650
    • (S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride
    • MDL: MFCD28119141
    • Inchi: 1S/C5H8F3N.ClH/c6-2-4-1-5(7,8)3-9-4;/h4,9H,1-3H2;1H/t4-;/m0./s1
    • InChI Key: KDEBIGUTHLUDOJ-WCCKRBBISA-N
    • SMILES: N1CC(F)(F)C[C@H]1CF.[H]Cl

Computed Properties

  • Exact Mass: 175.0375615g/mol
  • Monoisotopic Mass: 175.0375615g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 104
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12?2

(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride Pricemore >>

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Additional information on (S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride

Introduction to (S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride (CAS No. 1951425-16-3)

(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride, identified by its CAS number 1951425-16-3, is a specialized chemical compound that has garnered significant attention in the field of pharmaceutical research and development. This compound belongs to the pyrrolidine class, a heterocyclic structure that is widely recognized for its versatility in medicinal chemistry. The presence of fluorine atoms and a hydrochloride salt form enhances its pharmacological properties, making it a valuable candidate for further exploration in drug design and synthesis.

The< strong>fluoromethyl group in the molecular structure of this compound introduces unique electronic and steric properties, which can influence its interaction with biological targets. Fluorinated compounds are known to exhibit improved metabolic stability, lipophilicity, and binding affinity, making them attractive for the development of novel therapeutic agents. The< strong>Difluoro substitution further modifies the compound's characteristics, potentially enhancing its bioavailability and resistance to enzymatic degradation.

In recent years, there has been a growing interest in the development of chiral compounds for pharmaceutical applications. The (S)-configuration of this pyrrolidine derivative is particularly noteworthy, as enantiomeric purity is often crucial for the efficacy and safety of therapeutic drugs. The (S)-isomer of< strong>(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride has been studied for its potential role in modulating various biological pathways, including enzyme inhibition and receptor binding.

One of the most compelling aspects of this compound is its potential application in the treatment of neurological disorders. Research has indicated that pyrrolidine derivatives can interact with neurotransmitter systems, offering a promising avenue for developing new medications targeting conditions such as Alzheimer's disease and Parkinson's disease. The< strong>hydrochloride salt form enhances the solubility and bioavailability of the compound, facilitating its use in formulation development.

The< strong>Difluoro and< strong>fluoromethyl substituents play a critical role in determining the pharmacokinetic profile of this compound. Fluorine atoms are known to influence metabolic pathways, often leading to increased half-life and reduced clearance rates. This characteristic can be particularly beneficial for drugs that require prolonged action or multiple daily dosing. Additionally, the presence of these fluorine atoms can enhance the compound's interaction with target proteins, improving its therapeutic efficacy.

Recent advancements in computational chemistry have enabled researchers to predict the binding affinity and pharmacological activity of< strong>(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride with high accuracy. Molecular docking studies have shown that this compound can bind effectively to various enzymes and receptors involved in disease pathways. These findings suggest that it may have broad therapeutic potential across multiple areas of medicine.

The synthesis of< strong>(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride presents unique challenges due to the complexity of its molecular structure. However, recent innovations in synthetic methodologies have made it more feasible to produce this compound on an industrial scale. Techniques such as asymmetric hydrogenation and fluorochemical transformations have been employed to achieve high enantiomeric purity and yield.

The pharmaceutical industry continues to invest heavily in research aimed at uncovering new applications for< strong>(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride. Preclinical studies are underway to evaluate its efficacy in treating a range of conditions, from infectious diseases to chronic disorders. The results of these studies are expected to provide valuable insights into the compound's potential as a therapeutic agent.

The development of novel drug candidates often involves a multidisciplinary approach, combining expertise from organic chemistry, medicinal chemistry, pharmacology, and biotechnology. The study of< strong>(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride exemplifies this collaborative effort, as researchers from various fields contribute their knowledge to advance understanding and application.

In conclusion,< strong>(S)-4,4-Difluoro-2-(fluoromethyl)pyrrolidine hydrochloride (CAS No. 1951425-16-3) is a promising compound with significant potential in pharmaceutical research. Its unique molecular structure, characterized by fluorine substituents and chiral configuration, makes it an attractive candidate for drug development. Ongoing studies aim to elucidate its therapeutic applications and optimize its synthesis for broader use in medicine.

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