1,3,3,4,4,5,5-heptafluorocyclopent-1-ene

• ChemBase ID: 99263
• Molecular Formular: C5HF7
• Molecular Mass: 194.0502624
• Monoisotopic Mass: 193.99664757
• SMILES: FC1=CC(C(C1(F)F)(F)F)(F)F
• Canonical SMILES: FC1=CC(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5HF7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h1H
• InChIKey: AWDCOETZVBNIIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3,4,4,5,5-heptafluorocyclopent-1-ene
• IUPAC Traditional name: 1,3,3,4,4,5,5-heptafluorocyclopent-1-ene
• Synonyms: 1,3,3,4,4,5,5-Heptafluorocyclopent-1-ene; 1H-Perfluoro(cyclopent-1-ene) 97+%

Database IDs

• CAS Number: 1892-03-1
• PubChem SID: 162085547
• PubChem CID: 11769384

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4045641
• LogD (pH = 7.4): 2.4045641
• Log P: 2.4045641
• Molar Refractivity: 24.4504 cm^3
• Polarizability: 8.822532 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant