(trifluoroethenyl)cyclohexane

• ChemBase ID: 99137
• Molecular Formular: C8H11F3
• Molecular Mass: 164.1681496
• Monoisotopic Mass: 164.08128501
• SMILES: FC(=C(C1CCCCC1)F)F
• Canonical SMILES: FC(=C(F)F)C1CCCCC1
• InChI: InChI=1S/C8H11F3/c9-7(8(10)11)6-4-2-1-3-5-6/h6H,1-5H2
• InChIKey: PHLOCCSLPHZEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trifluoroethenyl)cyclohexane
• IUPAC Traditional name: (trifluoroethenyl)cyclohexane
• Synonyms: (Trifluorovinyl)cyclohexane

Database IDs

• MDL Number: MFCD00156078
• PubChem SID: 162085430
• PubChem CID: 2778011

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9716282
• LogD (pH = 7.4): 2.9716282
• Log P: 2.9716282
• Molar Refractivity: 48.1341 cm^3
• Polarizability: 13.814572 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant