1-chloro-2,3,3,4,4,5,5-heptafluorocyclopent-1-ene

• ChemBase ID: 98142
• Molecular Formular: C5ClF7
• Molecular Mass: 228.4953224
• Monoisotopic Mass: 227.95767522
• SMILES: FC1(F)C(=C(Cl)C(C1(F)F)(F)F)F
• Canonical SMILES: FC1=C(Cl)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5ClF7/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
• InChIKey: XUMFLKOMBYRBCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopent-1-ene
• IUPAC Traditional name: 1-chloro-2,3,3,4,4,5,5-heptafluorocyclopent-1-ene
• Synonyms: 1-Chloro-2,3,3,4,4,5,5-heptafluorocyclopent-1-ene; Perfluoro(1-chlorocyclopent-1-ene)

Database IDs

• PubChem SID: 162105092
• PubChem CID: 11031637

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6413274
• LogD (pH = 7.4): 2.6413274
• Log P: 2.6413274
• Molar Refractivity: 29.1666 cm^3
• Polarizability: 10.795231 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56-58°C
• Density: 1.606

Safety Information

• Storage Warning: Toxic/Harmful/Irritant