Cas no 1886967-27-6 (3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride)

3-(1,1-Difluoroethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride is a structurally unique bicyclic amine derivative featuring a difluoroethyl substituent. Its compact, rigid bicyclo[1.1.1]pentane scaffold enhances metabolic stability and improves physicochemical properties, making it a valuable intermediate in medicinal chemistry. The hydrochloride salt form ensures improved solubility and handling characteristics. The presence of fluorine atoms contributes to enhanced lipophilicity and bioavailability, while the amine functionality allows for further derivatization. This compound is particularly useful in the development of bioactive molecules, including pharmaceuticals and agrochemicals, where its sterically constrained framework can influence binding affinity and selectivity. Its synthetic versatility and stability make it a promising candidate for exploratory research and drug discovery applications.
3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride structure
1886967-27-6 structure
Product Name:3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CAS No:1886967-27-6
MF:C7H12ClF2N
MW:183.62668800354
MDL:MFCD32878370
CID:5162687
PubChem ID:153530101
Update Time:2026-03-04

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
    • EN300-26941263
    • PS-15585
    • F89025
    • EN300-37374247
    • MFCD32878370
    • 1886967-27-6
    • 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine hydrochloride
    • SCHEMBL22362682
    • 3-(1,1-Difluoroethyl)bicyclo[1.1.1]pentan-1-amine HCl
    • SY321209
    • MDL: MFCD32878370
    • Inchi: 1S/C7H11F2N.ClH/c1-5(8,9)6-2-7(10,3-6)4-6;/h2-4,10H2,1H3;1H
    • InChI Key: TXEOARJKUUZQLG-UHFFFAOYSA-N
    • SMILES: C(C12CC(N)(C1)C2)(F)(F)C.Cl

Computed Properties

  • Exact Mass: 183.0626334g/mol
  • Monoisotopic Mass: 183.0626334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 168
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride Pricemore >>

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Additional information on 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride (CAS No. 1886967-27-6): An Emerging Compound in Medicinal Chemistry

3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride (CAS No. 1886967-27-6) is a novel compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural features and potential therapeutic applications. This compound belongs to the class of bicyclic amines and is characterized by the presence of a difluoroethyl group, which imparts distinct chemical and biological properties.

The bicyclo[1.1.1]pentane scaffold is a relatively new and promising structural motif in drug discovery. This scaffold has been explored for its ability to enhance the physicochemical properties of molecules, such as solubility, stability, and bioavailability, while maintaining or improving their biological activity. The introduction of the difluoroethyl group further modulates these properties, offering a unique combination of steric and electronic effects that can influence receptor binding and pharmacological profiles.

Recent studies have highlighted the potential of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride in various therapeutic areas. One notable application is in the treatment of central nervous system (CNS) disorders, where this compound has shown promising results as a modulator of neurotransmitter systems. Specifically, it has been investigated for its ability to interact with serotonin receptors, which are implicated in conditions such as depression, anxiety, and schizophrenia.

In preclinical studies, 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride has demonstrated favorable pharmacokinetic properties, including good oral bioavailability and low toxicity profiles. These characteristics make it an attractive candidate for further development as a potential therapeutic agent.

The synthesis of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride involves several key steps that highlight the synthetic versatility of the bicyclic scaffold. The initial step typically involves the formation of the bicyclo[1.1.1]pentane core through a ring-closing metathesis reaction or other cyclization methods. Subsequent functionalization steps introduce the difluoroethyl group and the amine functionality, which are crucial for its biological activity.

The unique structure of 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride also makes it an interesting candidate for structure-activity relationship (SAR) studies. By systematically modifying different parts of the molecule, researchers can gain insights into how specific structural features influence its biological activity and selectivity towards different receptors or enzymes.

In addition to its potential as a therapeutic agent, 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride has also been explored as a tool compound in academic research settings. Its well-defined structure and known biological activities make it useful for probing receptor mechanisms and understanding the underlying biology of various diseases.

Despite its promising potential, further research is needed to fully elucidate the mechanisms of action and optimize its therapeutic profile. Ongoing clinical trials are evaluating its safety and efficacy in human subjects, with initial results showing positive trends in terms of both safety and preliminary efficacy.

In conclusion, 3-(1,1-difluoroethyl)bicyclo[1.1.1]pentan-1-amine; hydrochloride (CAS No. 1886967-27-6) represents an exciting development in medicinal chemistry with potential applications in treating CNS disorders and other conditions. Its unique structural features and favorable pharmacological properties make it a valuable addition to the growing arsenal of compounds being explored for their therapeutic potential.

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