1,2,3,4-tetrachloro-1,2,3,4,5,5-hexafluorocyclopentane

• ChemBase ID: 97580
• Molecular Formular: C5Cl4F6
• Molecular Mass: 315.8559192
• Monoisotopic Mass: 313.86583004
• SMILES: FC1(C(C(F)(C(C1(Cl)F)(Cl)F)Cl)(Cl)F)F
• Canonical SMILES: FC1(F)C(F)(Cl)C(C(C1(F)Cl)(F)Cl)(F)Cl
• InChI: InChI=1S/C5Cl4F6/c6-1(10)2(7,11)4(9,13)5(14,15)3(1,8)12
• InChIKey: SQOAFOCEKCANLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrachloro-1,2,3,4,5,5-hexafluorocyclopentane
• IUPAC Traditional name: 1,2,3,4-tetrachloro-1,2,3,4,5,5-hexafluorocyclopentane
• Synonyms: 1,1,2,3,4,5-Hexafluoro-2,3,4,5-tetrachlorocyclopentane 98%

Database IDs

• CAS Number: 1453-38-9
• MDL Number: MFCD00042312
• PubChem SID: 162084179
• PubChem CID: 2775044

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2369223
• LogD (pH = 7.4): 5.2369223
• Log P: 5.2369223
• Molar Refractivity: 43.014 cm^3
• Polarizability: 16.867563 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Irritant