(1,1-difluoro-3-phenylpropyl)benzene

• ChemBase ID: 66067
• Molecular Formular: C15H14F2
• Molecular Mass: 232.2684664
• Monoisotopic Mass: 232.10635689
• SMILES: c1ccccc1C(CCc1ccccc1)(F)F
• Canonical SMILES: FC(c1ccccc1)(CCc1ccccc1)F
• InChI: InChI=1S/C15H14F2/c16-15(17,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
• InChIKey: AXLZISRMDBEUDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1-difluoro-3-phenylpropyl)benzene
• IUPAC Traditional name: (1,1-difluoro-3-phenylpropyl)benzene
• Synonyms: 1,1-Difluoro-1,3-diphenylpropane

Database IDs

• MDL Number: MFCD11226602
• PubChem SID: 162031806
• PubChem CID: 10955422

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.825642
• LogD (pH = 7.4): 4.825642
• Log P: 4.825642
• Molar Refractivity: 65.3286 cm^3
• Polarizability: 24.724693 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%