3,3-difluorocyclopentan-1-amine hydrochloride

• ChemBase ID: 239262
• Molecular Formular: C5H10ClF2N
• Molecular Mass: 157.5894064
• Monoisotopic Mass: 157.04698345
• SMILES: C1(CC(N)CC1)(F)F.Cl
• Canonical SMILES: NC1CCC(C1)(F)F.Cl
• InChI: InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-4(8)3-5;/h4H,1-3,8H2;1H
• InChIKey: IIUHMNFTPGBLCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluorocyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 3,3-difluorocyclopentan-1-amine hydrochloride
• Synonyms: 3,3-difluorocyclopentan-1-amine hydrochloride; 3,3-Difluorocyclopentanamine hydrochloride

Database IDs

• CAS Number: 939398-48-8
• MDL Number: MFCD15526665
• PubChem SID: 164295172
• PubChem CID: 53403836

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4429085
• LogD (pH = 7.4): -2.0618665
• Log P: 0.58235
• Molar Refractivity: 26.3602 cm^3
• Polarizability: 10.284848 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.194

Product Information

• Purity: 95%; 95+%