1-chloro-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane

• ChemBase ID: 98136
• Molecular Formular: C5ClF9
• Molecular Mass: 266.4921288
• Monoisotopic Mass: 265.95448166
• SMILES: FC1(C(C(F)(F)C(C1(Cl)F)(F)F)(F)F)F
• Canonical SMILES: FC1(F)C(F)(Cl)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5ClF9/c6-1(7)2(8,9)4(12,13)5(14,15)3(1,10)11
• InChIKey: MYVQKOLPIBOMHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
• IUPAC Traditional name: 1-chloro-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
• Synonyms: 1-Chloro-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane; Perfluoro(chlorocyclopropane)

Database IDs

• CAS Number: 376-76-1
• PubChem SID: 162084597
• PubChem CID: 11140084

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9366407
• LogD (pH = 7.4): 3.9366407
• Log P: 3.9366407
• Molar Refractivity: 28.2585 cm^3
• Polarizability: 11.342479 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 52°C
• Density: 1.61

Safety Information

• Storage Warning: Harmful/Irritant