1-chloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene

• ChemBase ID: 99264
• Molecular Formular: C5HClF6
• Molecular Mass: 210.5048592
• Monoisotopic Mass: 209.96709703
• SMILES: ClC1=CC(F)(F)C(C1(F)F)(F)F
• Canonical SMILES: ClC1=CC(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5HClF6/c6-2-1-3(7,8)5(11,12)4(2,9)10/h1H
• InChIKey: VJKCESNYEZQMBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene
• IUPAC Traditional name: 1-chloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene
• Synonyms: 1-Chloro-3,3,4,4,5,5-hexafluorocyclopent-1-ene; 1-Chloro-2H-perfluoro(cyclopent-1-ene)

Database IDs

• CAS Number: 3761-95-3
• PubChem SID: 162085548
• PubChem CID: 630286

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.865907
• LogD (pH = 7.4): 2.865907
• Log P: 2.865907
• Molar Refractivity: 29.0388 cm^3
• Polarizability: 10.661021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant