1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(pentafluoroethyl)cyclohexane

• ChemBase ID: 97306
• Molecular Formular: C8F16
• Molecular Mass: 400.0600512
• Monoisotopic Mass: 399.97445152
• SMILES: FC1(F)C(F)(C(F)(F)C(C(C1(F)C(F)(F)C(F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F16/c9-1(4(14,15)8(22,23)24)2(10,11)5(16,17)7(20,21)6(18,19)3(1,12)13
• InChIKey: SEEJHICDPXGSRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(pentafluoroethyl)cyclohexane
• IUPAC Traditional name: perfluoroethylcyclohexane
• Synonyms: Undecafluoro(pentafluoroethyl)cyclohexane; Perfluoro(ethylcyclohexane)

Database IDs

• CAS Number: 335-21-7
• MDL Number: MFCD00066613
• PubChem SID: 162083916
• PubChem CID: 9552

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.343478
• LogD (pH = 7.4): 5.343478
• Log P: 5.343478
• Molar Refractivity: 37.6181 cm^3
• Polarizability: 15.347888 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Irritant