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

• ChemBase ID: 99953
• Molecular Formular: C5HCl4F5
• Molecular Mass: 297.865456
• Monoisotopic Mass: 295.87525185
• SMILES: ClC1(F)C(C(C(C1(Cl)F)(F)Cl)F)(Cl)F
• Canonical SMILES: FC1C(F)(Cl)C(C(C1(F)Cl)(F)Cl)(F)Cl
• InChI: InChI=1S/C5HCl4F5/c6-2(11)1(10)3(7,12)5(9,14)4(2,8)13/h1H
• InChIKey: FQFOJXUQZIYKKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrachloro-1,2,3,4,5-pentafluorocyclopentane
• IUPAC Traditional name: 1,2,3,4-tetrachloro-1,2,3,4,5-pentafluorocyclopentane
• Synonyms: 1,2,3,4,5-Pentafluoro-1,2,3,4-tetrachlorocyclopentane; 1,2,3,4-Tetrachloropentafluorocyclopentane

Database IDs

• MDL Number: MFCD07374278
• PubChem SID: 162086199
• PubChem CID: 2776560

CALCULATED PROPERTIES

• Polarizability: 16.780918 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 18.83557
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7970366
• LogD (pH = 7.4): 4.7970366
• Log P: 4.7970366
• Molar Refractivity: 42.6164 cm^3

PROPERTIES

Safety Information

• Storage Warning: Irritant