1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethyl)cyclopent-1-ene

• ChemBase ID: 93537
• Molecular Formular: C6F10
• Molecular Mass: 262.048232
• Monoisotopic Mass: 261.9840322
• SMILES: FC1=C(C(F)(F)C(C1(F)F)(F)F)C(F)(F)F
• Canonical SMILES: FC1=C(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F10/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11
• InChIKey: FWJJAIJDVAMNAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethyl)cyclopent-1-ene
• IUPAC Traditional name: 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethyl)cyclopent-1-ene
• Synonyms: Heptafluoro-1-(trifluoromethyl)cyclopent-1-ene

Database IDs

• CAS Number: 780-87-0
• MDL Number: MFCD00155846
• PubChem SID: 162080222
• PubChem CID: 2774954

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0123525
• LogD (pH = 7.4): 3.0123525
• Log P: 3.0123525
• Molar Refractivity: 29.6649 cm^3
• Polarizability: 10.901898 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant