[(E)-1,2-difluoro-2-phenylethenyl]benzene

• ChemBase ID: 281713
• Molecular Formular: C14H10F2
• Molecular Mass: 216.2260064
• Monoisotopic Mass: 216.07505676
• SMILES: C(=C(\c1ccccc1)/F)(/c1ccccc1)\F
• Canonical SMILES: F/C(=C(\c1ccccc1)/F)/c1ccccc1
• InChI: InChI=1S/C14H10F2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H/b14-13+
• InChIKey: VIWUJKBBJRFTMC-BUHFOSPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(E)-1,2-difluoro-2-phenylethenyl]benzene
• IUPAC Traditional name: [(E)-1,2-difluoro-2-phenylethenyl]benzene
• Synonyms: [(E)-1,2-difluoro-2-phenylethenyl]benzene

Database IDs

• MDL Number: MFCD00053176
• PubChem SID: 180667244
• PubChem CID: 1501877

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6985276
• LogD (pH = 7.4): 3.6985276
• Log P: 3.6985276
• Molar Refractivity: 61.7684 cm^3
• Polarizability: 22.852102 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.14

Product Information

• Purity: 95%