4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-ene

• ChemBase ID: 99338
• Molecular Formular: C6H5F7
• Molecular Mass: 210.0927224
• Monoisotopic Mass: 210.0279477
• SMILES: FC(F)(F)C(C(F)(F)F)(F)/C=C/C
• Canonical SMILES: C/C=C/C(C(F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H5F7/c1-2-3-4(7,5(8,9)10)6(11,12)13/h2-3H,1H3
• InChIKey: GEICRRKCIKMEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-ene
• IUPAC Traditional name: 4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-ene
• Synonyms: 4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pent-2-ene 97%

Database IDs

• MDL Number: MFCD09998186
• PubChem SID: 162085611
• PubChem CID: 5708732

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3841279
• LogD (pH = 7.4): 3.3841279
• Log P: 3.3841279
• Molar Refractivity: 31.8654 cm^3
• Polarizability: 11.054553 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant