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

• ChemBase ID: 98348
• Molecular Formular: C10F20
• Molecular Mass: 500.075064
• Monoisotopic Mass: 499.9680644
• SMILES: FC(C(C1(F)C(C(F)(C(F)(C(C1(F)F)(C(C(F)(F)F)(F)F)F)F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C1(F)C(F)(F)C(F)(C(C(F)(F)F)(F)F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F20/c11-1(6(19,20)9(25,26)27)3(13,14)2(12,7(21,22)10(28,29)30)5(17,18)8(23,24)4(1,15)16
• InChIKey: OIWXSBDFHALUCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(pentafluoroethyl)cyclohexane
• IUPAC Traditional name: 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(pentafluoroethyl)cyclohexane
• Synonyms: Perfluoro(1,3-diethylcyclohexane)

Database IDs

• PubChem SID: 162105212
• PubChem CID: 45933664

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4831
• LogD (pH = 7.4): 6.4831
• Log P: 6.4831
• Molar Refractivity: 47.2282 cm^3
• Polarizability: 19.186644 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant