(1,2,2,3,3,4-hexafluoro-4-phenylcyclobutyl)benzene

• ChemBase ID: 94816
• Molecular Formular: C16H10F6
• Molecular Mass: 316.2410192
• Monoisotopic Mass: 316.06866964
• SMILES: FC1(c2ccccc2)C(F)(F)C(C1(c1ccccc1)F)(F)F
• Canonical SMILES: FC1(c2ccccc2)C(F)(F)C(C1(F)c1ccccc1)(F)F
• InChI: InChI=1S/C16H10F6/c17-13(11-7-3-1-4-8-11)14(18,12-9-5-2-6-10-12)16(21,22)15(13,19)20/h1-10H
• InChIKey: LQSQCBMUGJZDHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2,2,3,3,4-hexafluoro-4-phenylcyclobutyl)benzene
• IUPAC Traditional name: (1,2,2,3,3,4-hexafluoro-4-phenylcyclobutyl)benzene
• Synonyms: Hexafluoro-1,2-diphenylcyclobutane

Database IDs

• MDL Number: MFCD01320745
• PubChem SID: 162081470
• PubChem CID: 2774986

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2192826
• LogD (pH = 7.4): 5.2192826
• Log P: 5.2192826
• Molar Refractivity: 66.8812 cm^3
• Polarizability: 25.173637 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant