N-(2,2-difluoroethyl)cyclopentanamine hydrochloride

• ChemBase ID: 235448
• Molecular Formular: C7H14ClF2N
• Molecular Mass: 185.6425664
• Monoisotopic Mass: 185.07828357
• SMILES: N(CC(F)F)C1CCCC1.Cl
• Canonical SMILES: FC(CNC1CCCC1)F.Cl
• InChI: InChI=1S/C7H13F2N.ClH/c8-7(9)5-10-6-3-1-2-4-6;/h6-7,10H,1-5H2;1H
• InChIKey: AFJGUEQWGFVEHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-difluoroethyl)cyclopentanamine hydrochloride
• IUPAC Traditional name: N-(2,2-difluoroethyl)cyclopentanamine hydrochloride
• Synonyms: N-(2,2-difluoroethyl)cyclopentanamine hydrochloride

Database IDs

• MDL Number: MFCD22056421
• PubChem SID: 164291358
• PubChem CID: 71755515

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.34326032
• LogD (pH = 7.4): 1.2797251
• Log P: 1.6281592
• Molar Refractivity: 35.667 cm^3
• Polarizability: 13.897389 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.529

Product Information

• Purity: 95%