Cas no 1273566-51-0 (3-Fluorocyclohexanamine)

3-Fluorocyclohexanamine is a fluorinated cyclohexylamine derivative characterized by the presence of a fluorine atom at the 3-position of the cyclohexane ring. This structural modification enhances its utility as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The fluorine substituent influences the compound's electronic and steric properties, potentially improving metabolic stability and binding affinity in bioactive molecules. Its cyclohexylamine core offers conformational flexibility, making it valuable for designing compounds with specific stereochemical requirements. The compound is typically handled under controlled conditions due to its amine functionality, ensuring stability and purity for synthetic applications.
3-Fluorocyclohexanamine structure
3-Fluorocyclohexanamine structure
Product Name:3-Fluorocyclohexanamine
CAS No:1273566-51-0
MF:C6H12FN
MW:117.164585113525
MDL:MFCD18791204
CID:1036525
PubChem ID:57675151
Update Time:2025-10-28

3-Fluorocyclohexanamine Chemical and Physical Properties

Names and Identifiers

    • 3-Fluorocyclohexanamine
    • 3-fluorocyclohexan-1-amine
    • 3-Fluoro-cyclohexylamine
    • DTXSID70727479
    • 1273566-51-0
    • 1273564-01-4
    • (1S,3R)-3-fluorocyclohexanamine
    • SCHEMBL8281074
    • (1S,3S)-3-fluorocyclohexanamine
    • 1273564-10-5
    • (1R,3R)-3-fluorocyclohexanamine
    • DB-331304
    • CS-0106922
    • cis-3-fluorocyclohexanamine
    • AKOS016000691
    • EN300-112139
    • trans-3-fluorocyclohexanamine
    • SB32607
    • (1R,3S)-3-fluorocyclohexanamine
    • SB75233
    • MDL: MFCD18791204
    • Inchi: 1S/C6H12FN/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,8H2
    • InChI Key: ZPZKJQKFLQCCMD-UHFFFAOYSA-N
    • SMILES: FC1CCCC(C1)N

Computed Properties

  • Exact Mass: 117.095377549g/mol
  • Monoisotopic Mass: 117.095377549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 74.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 26?2

3-Fluorocyclohexanamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
20R1704-1g
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1273566-51-0 97%
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JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd.
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eNovation Chemicals LLC
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1273566-51-0 95%
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Ambeed
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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1273566-51-0 98+%
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¥1814.00 2024-08-09

Additional information on 3-Fluorocyclohexanamine

Research Brief on 3-Fluorocyclohexanamine (CAS: 1273566-51-0): Recent Advances and Applications in Chemical Biology and Pharmaceutical Sciences

3-Fluorocyclohexanamine (CAS: 1273566-51-0) is a fluorinated cyclohexylamine derivative that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This compound, characterized by the presence of a fluorine atom at the 3-position of the cyclohexane ring, exhibits unique physicochemical properties that make it a valuable building block for the synthesis of bioactive molecules. Recent studies have explored its utility as a key intermediate in the development of novel therapeutics, particularly in the areas of central nervous system (CNS) disorders and metabolic diseases.

A 2023 study published in the Journal of Medicinal Chemistry investigated the role of 3-Fluorocyclohexanamine in the design of selective serotonin reuptake inhibitors (SSRIs). The researchers demonstrated that the incorporation of this fluorinated amine moiety into the scaffold of known SSRIs significantly improved their blood-brain barrier permeability and metabolic stability. The study utilized molecular docking simulations and in vitro assays to validate the enhanced binding affinity of these derivatives to the serotonin transporter (SERT), suggesting potential applications in the treatment of depression and anxiety disorders.

In the field of radiopharmaceuticals, 3-Fluorocyclohexanamine has been employed as a precursor for the synthesis of fluorine-18 labeled tracers for positron emission tomography (PET) imaging. A recent publication in ACS Chemical Neuroscience (2024) described the development of a novel PET probe targeting sigma-1 receptors, where 3-Fluorocyclohexanamine served as the core structure. The probe exhibited high specificity and favorable pharmacokinetics in preclinical models, highlighting its potential for neuroimaging applications in neurodegenerative diseases such as Alzheimer's and Parkinson's.

The synthetic accessibility of 3-Fluorocyclohexanamine has also been a subject of recent optimization efforts. A 2024 paper in Organic Process Research & Development reported an improved catalytic hydrogenation protocol for its preparation from 3-fluorocyclohexanone, achieving higher yields (85-90%) and excellent enantioselectivity (>99% ee) when using a chiral ruthenium catalyst. This advancement addresses previous challenges in the large-scale production of enantiomerically pure 3-Fluorocyclohexanamine, which is crucial for pharmaceutical applications where stereochemistry plays a critical role in biological activity.

Emerging research has also explored the metabolic fate of 3-Fluorocyclohexanamine-containing compounds. A recent study in Drug Metabolism and Disposition (2023) characterized the major Phase I and Phase II metabolites of several 3-Fluorocyclohexanamine derivatives, identifying fluorinated cyclohexanol and glucuronide conjugates as predominant metabolites. These findings provide valuable insights for drug design, particularly in optimizing metabolic stability and minimizing potential toxicity concerns associated with fluorinated compounds.

Looking forward, the versatility of 3-Fluorocyclohexanamine continues to inspire innovative applications across chemical biology and pharmaceutical sciences. Current research directions include its incorporation into proteolysis-targeting chimeras (PROTACs) for targeted protein degradation, as well as its use in the development of fluorinated analogs of natural products with enhanced pharmacological properties. The compound's unique combination of structural features and favorable drug-like characteristics ensures its ongoing relevance in medicinal chemistry research.

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