1-(2,2-difluoroethyl)piperidin-4-ol

• ChemBase ID: 248771
• Molecular Formular: C7H13F2NO
• Molecular Mass: 165.1810264
• Monoisotopic Mass: 165.09652048
• SMILES: N1(CC(F)F)CCC(CC1)O
• Canonical SMILES: FC(CN1CCC(CC1)O)F
• InChI: InChI=1S/C7H13F2NO/c8-7(9)5-10-3-1-6(11)2-4-10/h6-7,11H,1-5H2
• InChIKey: ZLNOIWDWSGHFJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-difluoroethyl)piperidin-4-ol
• IUPAC Traditional name: 1-(2,2-difluoroethyl)piperidin-4-ol
• Synonyms: 1-(2,2-difluoroethyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD16162550
• PubChem SID: 164304681
• PubChem CID: 62022101

CALCULATED PROPERTIES

• Acid pKa: 15.179279
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.46835685
• LogD (pH = 7.4): -0.03502665
• Log P: -0.025435198
• Molar Refractivity: 38.2728 cm^3
• Polarizability: 14.599533 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.301

Product Information

• Purity: 95%