2,2-difluorocyclopentan-1-amine hydrochloride

• ChemBase ID: 286638
• Molecular Formular: C5H10ClF2N
• Molecular Mass: 157.5894064
• Monoisotopic Mass: 157.04698345
• SMILES: C1(C(N)CCC1)(F)F.Cl
• Canonical SMILES: NC1CCCC1(F)F.Cl
• InChI: InChI=1S/C5H9F2N.ClH/c6-5(7)3-1-2-4(5)8;/h4H,1-3,8H2;1H
• InChIKey: NKKPWPHIGLLMRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorocyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-difluorocyclopentan-1-amine hydrochloride
• Synonyms: 2,2-difluorocyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18909233
• PubChem SID: 180672169
• PubChem CID: 71656097

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5623482
• LogD (pH = 7.4): 0.13091245
• Log P: 0.7566156
• Molar Refractivity: 26.5094 cm^3
• Polarizability: 10.285137 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C
• Hydrophobicity(logP): 1.094

Product Information

• Purity: 95%