4-[difluoro(phenyl)methyl]-1,2-dimethylbenzene

• ChemBase ID: 97901
• Molecular Formular: C15H14F2
• Molecular Mass: 232.2684664
• Monoisotopic Mass: 232.10635689
• SMILES: FC(c1ccccc1)(c1cc(c(cc1)C)C)F
• Canonical SMILES: Cc1ccc(cc1C)C(c1ccccc1)(F)F
• InChI: InChI=1S/C15H14F2/c1-11-8-9-14(10-12(11)2)15(16,17)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: MRMOJARJBMVIBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[difluoro(phenyl)methyl]-1,2-dimethylbenzene
• IUPAC Traditional name: 4-[difluoro(phenyl)methyl]-1,2-dimethylbenzene
• Synonyms: 4-[Difluoro(phenyl)methyl]-1,2-dimethylbenzene; 4-[Difluoro(phenyl)methyl]-o-xylene; alpha,alpha-Difluoro-3,4-dimethyldiphenylmethane

Database IDs

• PubChem SID: 162105009
• PubChem CID: 53435200

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3479567
• LogD (pH = 7.4): 5.3479567
• Log P: 5.3479567
• Molar Refractivity: 65.9446 cm^3
• Polarizability: 24.635948 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant