1-(trifluoroethenyl)cyclohex-1-ene

• ChemBase ID: 99921
• Molecular Formular: C8H9F3
• Molecular Mass: 162.1522696
• Monoisotopic Mass: 162.06563495
• SMILES: FC(=C(C1=CCCCC1)F)F
• Canonical SMILES: FC(=C(C1=CCCCC1)F)F
• InChI: InChI=1S/C8H9F3/c9-7(8(10)11)6-4-2-1-3-5-6/h4H,1-3,5H2
• InChIKey: UIYQTTDUBGCJOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoroethenyl)cyclohex-1-ene
• IUPAC Traditional name: 1-(trifluoroethenyl)cyclohex-1-ene
• Synonyms: 1-(Trifluorovinyl)cyclohex-1-ene

Database IDs

• MDL Number: MFCD00156079
• PubChem SID: 162086167
• PubChem CID: 2778013

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6440024
• LogD (pH = 7.4): 2.6440024
• Log P: 2.6440024
• Molar Refractivity: 48.9071 cm^3
• Polarizability: 13.559026 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant