4-(difluoromethyl)piperidine hydrochloride

• ChemBase ID: 239403
• Molecular Formular: C6H12ClF2N
• Molecular Mass: 171.6159864
• Monoisotopic Mass: 171.06263351
• SMILES: C(C1CCNCC1)(F)F.Cl
• Canonical SMILES: FC(C1CCNCC1)F.Cl
• InChI: InChI=1S/C6H11F2N.ClH/c7-6(8)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
• InChIKey: GBTVMRGLIWAZPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(difluoromethyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(difluoromethyl)piperidine hydrochloride
• Synonyms: 4-(difluoromethyl)piperidine hydrochloride

Database IDs

• CAS Number: 760958-13-2
• MDL Number: MFCD18711662
• PubChem SID: 164295313
• PubChem CID: 53346560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6033096
• LogD (pH = 7.4): -2.1361814
• Log P: 0.6278689
• Molar Refractivity: 31.559 cm^3
• Polarizability: 12.086226 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.6

Product Information

• Purity: 95%; 95+%