2-ethenyl-1,3,4-trifluorobenzene

• ChemBase ID: 98895
• Molecular Formular: C8H5F3
• Molecular Mass: 158.1205096
• Monoisotopic Mass: 158.03433482
• SMILES: Fc1c(c(ccc1F)F)C=C
• Canonical SMILES: C=Cc1c(F)ccc(c1F)F
• InChI: InChI=1S/C8H5F3/c1-2-5-6(9)3-4-7(10)8(5)11/h2-4H,1H2
• InChIKey: YEUZEPCHANPDGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-1,3,4-trifluorobenzene
• IUPAC Traditional name: 2-ethenyl-1,3,4-trifluorobenzene
• Synonyms: 2-Vinyl-1,3,4-trifluorobenzene; 2,3,6-Trifluorostyrene

Database IDs

• PubChem SID: 162105242
• PubChem CID: 19786461

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1380537
• LogD (pH = 7.4): 3.1380537
• Log P: 3.1380537
• Molar Refractivity: 36.3935 cm^3
• Polarizability: 13.001047 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold