(3,5-difluorophenyl)(phenyl)methanol

• ChemBase ID: 296757
• Molecular Formular: C13H10F2O
• Molecular Mass: 220.2147064
• Monoisotopic Mass: 220.06997138
• SMILES: c1ccc(cc1)C(c1cc(cc(c1)F)F)O
• Canonical SMILES: Fc1cc(F)cc(c1)C(c1ccccc1)O
• InChI: InChI=1S/C13H10F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8,13,16H
• InChIKey: MZBBRGLZQRMJPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-difluorophenyl)(phenyl)methanol
• IUPAC Traditional name: (3,5-difluorophenyl)(phenyl)methanol
• Synonyms: 3,5-Difluorobenzhydrol; 3,5-二氟二苯基甲醇

Database IDs

• CAS Number: 153877-56-6
• MDL Number: MFCD06201256
• PubChem SID: 180682288
• PubChem CID: 2758253

CALCULATED PROPERTIES

• Acid pKa: 13.511447
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.27554
• LogD (pH = 7.4): 3.2755399
• Log P: 3.27554
• Molar Refractivity: 57.5895 cm^3
• Polarizability: 21.705126 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%