(R)-(2-fluorophenyl)(phenyl)methanol

• ChemBase ID: 93366
• Molecular Formular: C13H11FO
• Molecular Mass: 202.2242432
• Monoisotopic Mass: 202.07939319
• SMILES: O[C@@H](c1ccccc1F)c1ccccc1
• Canonical SMILES: Fc1ccccc1[C@@H](c1ccccc1)O
• InChI: InChI=1S/C13H11FO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,13,15H/t13-/m1/s1
• InChIKey: HFVMEOPYDLEHBR-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (R)-(2-fluorophenyl)(phenyl)methanol
• IUPAC Traditional name: (R)-(2-fluorophenyl)(phenyl)methanol
• Synonyms: (1R)-(2-Fluorophenyl)(phenyl)methanol; (R)-2-Fluorobenzhydrol

Database IDs

• CAS Number: 143880-81-3
• MDL Number: MFCD03788498
• PubChem SID: 162080051
• PubChem CID: 2779147

CALCULATED PROPERTIES

• Acid pKa: 13.400259
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1328382
• LogD (pH = 7.4): 3.1328378
• Log P: 3.1328382
• Molar Refractivity: 57.3731 cm^3
• Polarizability: 22.01835 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant