Cas no 939398-48-8 (3,3-difluorocyclopentan-1-amine hydrochloride)

3,3-Difluorocyclopentan-1-amine hydrochloride is a fluorinated cyclopentylamine derivative with significant utility in pharmaceutical and agrochemical research. The incorporation of difluoromethyl groups enhances its metabolic stability and lipophilicity, making it a valuable intermediate for drug discovery. The hydrochloride salt form improves solubility and handling properties, facilitating its use in synthetic applications. This compound is particularly relevant in the development of bioactive molecules, where the cyclopentylamine scaffold serves as a key structural motif. Its rigid, fluorine-substituted ring system offers steric and electronic advantages, enabling precise modulation of target interactions. Suitable for use under controlled conditions, it is supplied with high purity to ensure consistent performance in experimental workflows.
3,3-difluorocyclopentan-1-amine hydrochloride structure
939398-48-8 structure
Product Name:3,3-difluorocyclopentan-1-amine hydrochloride
CAS No:939398-48-8
MF:C5H10ClF2N
MW:157.589407444
MDL:MFCD15526665
CID:829969
PubChem ID:53403836
Update Time:2025-06-07

3,3-difluorocyclopentan-1-amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3,3-Difluorocyclopentanamine hydrochloride
    • 3,3-DIFLUOROCYCLOPENTAN-1-AMINE
    • 3,3-difluorocyclopentan-1-amine hydrochloride
    • 3,3-Difluorocyclopentanamine
    • Cyclopentanamine, 3,3-difluoro-
    • QLOHXGYAULHFOG-UHFFFAOYSA-N
    • WT975
    • ST1271458
    • M112257
    • 3,3-Difluorocyclopentylamine hydrochloride
    • 3,3-Difluoro-cyclopentylamine hydrochloride
    • 3,3-DIFLUOROCYCLOPENTANAMINE HCL
    • SY039476
    • (1S)-3,3-Difluorocyclopentanamine hydrochloride
    • C5H10ClF2N
    • 3,3-difluorocyclopentan-1-amine;hydrochloride
    • SCHEMBL758317
    • MFCD15527039
    • SB19902
    • AS-41305
    • SB20715
    • SY059258
    • MFCD23106013
    • PB25527
    • (1R)-3,3-Difluorocyclopentanamine hydrochloride
    • AKOS016011498
    • MFCD15526665
    • CS-0038956
    • EN300-109808
    • BCP10234
    • SY059161
    • MFCD23106014
    • SB20714
    • 3,3-Difluorocyclopentan-1-amine HCl
    • DB-079730
    • F8880-2332
    • 939398-48-8
    • 3,3-Difluorocyclopentanaminehydrochloride
    • 3,3-Difluorocyclopentanamine hydrochloride, 98%
    • MDL: MFCD15526665
    • Inchi: 1S/C5H9F2N.ClH/c6-5(7)2-1-4(8)3-5;/h4H,1-3,8H2;1H
    • InChI Key: IIUHMNFTPGBLCX-UHFFFAOYSA-N
    • SMILES: Cl.FC1(CC(N)CC1)F

Computed Properties

  • Exact Mass: 157.0469833g/mol
  • Monoisotopic Mass: 157.0469833g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 92.4
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26

3,3-difluorocyclopentan-1-amine hydrochloride Pricemore >>

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3,3-difluorocyclopentan-1-amine hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  1 h, rt
Reference
Substituted aminopurine compounds as kinase inhibitors and their compositions and preparation
, United States, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Sodium azide Solvents: Chloroform ,  Water ;  rt → 50 °C; 3 h, 50 °C; 3 h, 45 - 50 °C; 50 °C → rt; 48 h, rt; cooled
1.2 Reagents: Sodium hydroxide Solvents: Water ;  pH 12 - 13
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Synthesis of gem-difluorocyclopentane/hexane building blocks
Melnykov, Kostiantyn P.; Nosik, Pavel S.; Kurpil, Bohdan B.; Sibgatulin, Dmitriy A.; Volochnyuk, Dmitriy M.; et al, Journal of Fluorine Chemistry, 2017, 199, 60-66

Production Method 3

Reaction Conditions
Reference
Preparation of heterocyclic and aromatic ureas and amides as CEPT inhibitors
, United States, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  overnight, 1 atm, rt
1.2 Reagents: Hydrochloric acid Solvents: Methanol ;  20 min, rt
Reference
Preparation of heterocycles as isocitrate dehydrogenase 1 inhibitors, therapeutically active compositions and their methods of use
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  20 h, 100 °C; 100 °C → rt
Reference
Preparation of heterocyclic and aromatic ureas and amides as CEPT inhibitors
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  overnight, rt
1.2 Reagents: Hydrochloric acid Solvents: 1,4-Dioxane
Reference
Compound as CDK kinase inhibitor and use thereof
, World Intellectual Property Organization, , ,

3,3-difluorocyclopentan-1-amine hydrochloride Raw materials

3,3-difluorocyclopentan-1-amine hydrochloride Preparation Products

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