1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene

• ChemBase ID: 66094
• Molecular Formular: C14H8F6
• Molecular Mass: 290.2037392
• Monoisotopic Mass: 290.05301958
• SMILES: c1(c(cccc1)C(F)(F)F)c1c(cccc1)C(F)(F)F
• Canonical SMILES: FC(c1ccccc1c1ccccc1C(F)(F)F)(F)F
• InChI: InChI=1S/C14H8F6/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(18,19)20/h1-8H
• InChIKey: VBFVFTVNLQCICW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
• IUPAC Traditional name: 1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
• Synonyms: 2,2'-Bis-(trifluoromethyl)biphenyl

Database IDs

• CAS Number: 567-15-7
• MDL Number: MFCD09836618
• PubChem SID: 162031833
• PubChem CID: 3013906

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3761683
• LogD (pH = 7.4): 5.3761683
• Log P: 5.3761683
• Molar Refractivity: 63.1416 cm^3
• Polarizability: 23.460173 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%