3-(difluoromethyl)piperidin-3-ol

• ChemBase ID: 242042
• Molecular Formular: C6H11F2NO
• Molecular Mass: 151.1544464
• Monoisotopic Mass: 151.08087042
• SMILES: OC1(CCCNC1)C(F)F
• Canonical SMILES: FC(C1(O)CCCNC1)F
• InChI: InChI=1S/C6H11F2NO/c7-5(8)6(10)2-1-3-9-4-6/h5,9-10H,1-4H2
• InChIKey: GLTKXROZFAJDFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethyl)piperidin-3-ol
• IUPAC Traditional name: 3-(difluoromethyl)piperidin-3-ol
• Synonyms: 3-(difluoromethyl)piperidin-3-ol

Database IDs

• MDL Number: MFCD22421911
• PubChem SID: 164297952
• PubChem CID: 71756930

CALCULATED PROPERTIES

• Acid pKa: 12.140009
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.122313
• LogD (pH = 7.4): -1.7584947
• Log P: -0.027311489
• Molar Refractivity: 32.6469 cm^3
• Polarizability: 12.799944 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.197

Product Information

• Purity: 95%