(1,1,2,2-tetrafluoro-2-phenylethyl)benzene

• ChemBase ID: 94715
• Molecular Formular: C14H10F4
• Molecular Mass: 254.2228128
• Monoisotopic Mass: 254.0718632
• SMILES: FC(c1ccccc1)(F)C(c1ccccc1)(F)F
• Canonical SMILES: FC(C(c1ccccc1)(F)F)(c1ccccc1)F
• InChI: InChI=1S/C14H10F4/c15-13(16,11-7-3-1-4-8-11)14(17,18)12-9-5-2-6-10-12/h1-10H
• InChIKey: OVEWNBYMFPGNRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1,2,2-tetrafluoro-2-phenylethyl)benzene
• IUPAC Traditional name: (1,1,2,2-tetrafluoro-2-phenylethyl)benzene
• Synonyms: 1,2-Diphenyl-1,1,2,2-tetrafluoroethane 98%

Database IDs

• CAS Number: 425-32-1
• MDL Number: MFCD00526208
• PubChem SID: 162081369
• PubChem CID: 136269

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0217566
• LogD (pH = 7.4): 5.0217566
• Log P: 5.0217566
• Molar Refractivity: 60.5302 cm^3
• Polarizability: 22.505693 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant