3-(2,2,2-trifluoroethyl)piperidine hydrochloride

• ChemBase ID: 244778
• Molecular Formular: C7H13ClF3N
• Molecular Mass: 203.6330296
• Monoisotopic Mass: 203.06886176
• SMILES: C(CC1CNCCC1)(F)(F)F.Cl
• Canonical SMILES: FC(CC1CCCNC1)(F)F.Cl
• InChI: InChI=1S/C7H12F3N.ClH/c8-7(9,10)4-6-2-1-3-11-5-6;/h6,11H,1-5H2;1H
• InChIKey: FELFHBLFTSQVEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,2,2-trifluoroethyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(2,2,2-trifluoroethyl)piperidine hydrochloride
• Synonyms: 3-(2,2,2-trifluoroethyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD22741244
• PubChem SID: 164300688
• PubChem CID: 71757580

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5769539
• LogD (pH = 7.4): -1.1951976
• Log P: 1.6571907
• Molar Refractivity: 36.6913 cm^3
• Polarizability: 13.780937 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.497

Product Information

• Purity: 95%