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

• ChemBase ID: 66153
• Molecular Formular: C14H11F3
• Molecular Mass: 236.2323496
• Monoisotopic Mass: 236.08128501
• SMILES: C(C(c1ccccc1)c1ccccc1)(F)(F)F
• Canonical SMILES: FC(C(c1ccccc1)c1ccccc1)(F)F
• InChI: InChI=1S/C14H11F3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
• InChIKey: CNRPKWSJHKEVPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,2-trifluoro-1-phenylethyl)benzene
• IUPAC Traditional name: (2,2,2-trifluoro-1-phenylethyl)benzene
• Synonyms: 1,1,1-Trifluoro-2,2-diphenylethane

Database IDs

• MDL Number: MFCD14525522
• PubChem SID: 162031892
• PubChem CID: 13642381

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.629353
• LogD (pH = 7.4): 4.629353
• Log P: 4.629353
• Molar Refractivity: 61.2017 cm^3
• Polarizability: 22.638002 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%