1-cyclohexyl-2,2-difluoroethan-1-ol

• ChemBase ID: 240825
• Molecular Formular: C8H14F2O
• Molecular Mass: 164.1929664
• Monoisotopic Mass: 164.10127151
• SMILES: C(C(C1CCCCC1)O)(F)F
• Canonical SMILES: OC(C1CCCCC1)C(F)F
• InChI: InChI=1S/C8H14F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h6-8,11H,1-5H2
• InChIKey: XQWBMOVANRFWLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-2,2-difluoroethan-1-ol
• IUPAC Traditional name: 1-cyclohexyl-2,2-difluoroethanol
• Synonyms: 1-cyclohexyl-2,2-difluoroethan-1-ol

Database IDs

• MDL Number: MFCD22392225
• PubChem SID: 164296735
• PubChem CID: 11008259

CALCULATED PROPERTIES

• Acid pKa: 12.553082
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.121809
• LogD (pH = 7.4): 2.121806
• Log P: 2.121809
• Molar Refractivity: 38.2369 cm^3
• Polarizability: 14.883015 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.241

Product Information

• Purity: 95%