bis(2-fluorophenyl)methanol

• ChemBase ID: 238528
• Molecular Formular: C13H10F2O
• Molecular Mass: 220.2147064
• Monoisotopic Mass: 220.06997138
• SMILES: C(c1c(F)cccc1)(c1c(F)cccc1)O
• Canonical SMILES: Fc1ccccc1C(c1ccccc1F)O
• InChI: InChI=1S/C13H10F2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,13,16H
• InChIKey: DUWHHGVNDORBNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-fluorophenyl)methanol
• IUPAC Traditional name: bis(2-fluorophenyl)methanol
• Synonyms: bis(2-fluorophenyl)methanol

Database IDs

• MDL Number: MFCD03077174
• PubChem SID: 164294438
• PubChem CID: 18424663

CALCULATED PROPERTIES

• Acid pKa: 13.037362
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.27554
• LogD (pH = 7.4): 3.2755392
• Log P: 3.27554
• Molar Refractivity: 57.5895 cm^3
• Polarizability: 21.704985 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.738

Product Information

• Purity: 95%