(pentafluoroprop-1-en-2-yl)benzene

• ChemBase ID: 99054
• Molecular Formular: C9H5F5
• Molecular Mass: 208.128016
• Monoisotopic Mass: 208.03114126
• SMILES: FC(=C(c1ccccc1)C(F)(F)F)F
• Canonical SMILES: FC(=C(C(F)(F)F)c1ccccc1)F
• InChI: InChI=1S/C9H5F5/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h1-5H
• InChIKey: SJMRUNGTJGIEJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentafluoroprop-1-en-2-yl)benzene
• IUPAC Traditional name: (pentafluoroprop-1-en-2-yl)benzene
• Synonyms: (1,1,3,3,3-Pentafluoroprop-1-en-2-yl)benzene; 2-Phenylperfluoroprop-1-ene 97%

Database IDs

• CAS Number: 1979-51-7
• PubChem SID: 162085351
• PubChem CID: 10352992

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5529194
• LogD (pH = 7.4): 3.5529194
• Log P: 3.5529194
• Molar Refractivity: 52.0884 cm^3
• Polarizability: 14.743362 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant