[difluoro(phenyl)methyl]benzene

• ChemBase ID: 93359
• Molecular Formular: C13H10F2
• Molecular Mass: 204.2153064
• Monoisotopic Mass: 204.07505676
• SMILES: FC(c1ccccc1)(c1ccccc1)F
• Canonical SMILES: FC(c1ccccc1)(c1ccccc1)F
• InChI: InChI=1S/C13H10F2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: LVTDRHCAWKTYCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [difluoro(phenyl)methyl]benzene
• IUPAC Traditional name: [difluoro(phenyl)methyl]benzene
• Synonyms: Difluorodiphenylmethane

Database IDs

• CAS Number: 360-11-2
• MDL Number: MFCD03788490
• PubChem SID: 162080044
• PubChem CID: 2779134

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.321114
• LogD (pH = 7.4): 4.321114
• Log P: 4.321114
• Molar Refractivity: 55.8622 cm^3
• Polarizability: 21.111444 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant