cyclopropylbis(4-fluorophenyl)methanol

• ChemBase ID: 96469
• Molecular Formular: C16H14F2O
• Molecular Mass: 260.2785664
• Monoisotopic Mass: 260.10127151
• SMILES: OC(C1CC1)(c1ccc(cc1)F)c1ccc(cc1)F
• Canonical SMILES: OC(c1ccc(cc1)F)(c1ccc(cc1)F)C1CC1
• InChI: InChI=1S/C16H14F2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2
• InChIKey: YAKFETHTYBAIJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropylbis(4-fluorophenyl)methanol
• IUPAC Traditional name: cyclopropylbis(4-fluorophenyl)methanol
• Synonyms: Cyclopropyl[di(4-fluorophenyl)]methanol

Database IDs

• MDL Number: MFCD00019239
• PubChem SID: 162083118
• PubChem CID: 67930

CALCULATED PROPERTIES

• Acid pKa: 13.169246
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8411665
• LogD (pH = 7.4): 3.8411658
• Log P: 3.8411665
• Molar Refractivity: 69.6221 cm^3
• Polarizability: 26.486847 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true