(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene

• ChemBase ID: 51389
• Molecular Formular: C15H13F3
• Molecular Mass: 250.2589296
• Monoisotopic Mass: 250.09693508
• SMILES: C(C(c1ccccc1)(c1ccccc1)C)(F)(F)F
• Canonical SMILES: CC(C(F)(F)F)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H13F3/c1-14(15(16,17)18,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
• InChIKey: BZLSCVAPEFKLSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
• IUPAC Traditional name: (1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
• Synonyms: 1,1,1-Trifluoro-2,2-diphenylpropane

Database IDs

• MDL Number: MFCD14525526
• PubChem SID: 162056152
• PubChem CID: 13697404

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0165334
• LogD (pH = 7.4): 5.0165334
• Log P: 5.0165334
• Molar Refractivity: 76.2458 cm^3
• Polarizability: 24.464958 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%