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

• ChemBase ID: 111720
• Molecular Formular: C9H5F5
• Molecular Mass: 208.128016
• Monoisotopic Mass: 208.03114126
• SMILES: FC(=C(F)C(F)(F)c1ccccc1)F
• Canonical SMILES: FC(=C(F)F)C(c1ccccc1)(F)F
• InChI: InChI=1S/C9H5F5/c10-7(8(11)12)9(13,14)6-4-2-1-3-5-6/h1-5H
• InChIKey: DCFLXZJTFHSORH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentafluoroprop-2-en-1-yl)benzene
• IUPAC Traditional name: (pentafluoroprop-2-en-1-yl)benzene
• Synonyms: PENTAFLUOROALLYLBENZENE

Database IDs

• PubChem SID: 162106582
• PubChem CID: 21115305

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.282461
• LogD (pH = 7.4): 3.282461
• Log P: 3.282461
• Molar Refractivity: 51.6697 cm^3
• Polarizability: 14.685291 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 148°C
• Density: 1.358 g/ml

DETAILS

MP Biomedicals - 05220560

MP Biomedicals Rare Chemical collection