N-(2,2-difluoroethyl)cyclobutanamine hydrochloride

• ChemBase ID: 237214
• Molecular Formular: C6H12ClF2N
• Molecular Mass: 171.6159864
• Monoisotopic Mass: 171.06263351
• SMILES: N(CC(F)F)C1CCC1.Cl
• Canonical SMILES: FC(CNC1CCC1)F.Cl
• InChI: InChI=1S/C6H11F2N.ClH/c7-6(8)4-9-5-2-1-3-5;/h5-6,9H,1-4H2;1H
• InChIKey: MJAXLPOKNMIOML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18382000
• PubChem SID: 164293124
• PubChem CID: 53484495

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.496512
• LogD (pH = 7.4): 0.97779304
• Log P: 1.1835905
• Molar Refractivity: 31.066 cm^3
• Polarizability: 12.086422 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.97

Product Information

• Purity: 95%