1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane

• ChemBase ID: 94128
• Molecular Formular: C10F20
• Molecular Mass: 500.075064
• Monoisotopic Mass: 499.9680644
• SMILES: FC1(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(C(F)(F)F)(C(C1(F)F)(C(F)(F)F)F)F)F
• Canonical SMILES: FC(C1(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(C(C1(F)C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F20/c11-1(7(19,20)21)2(12,8(22,23)24)4(14,10(28,29)30)6(17,18)5(15,16)3(1,13)9(25,26)27
• InChIKey: SYLFCPLQRJNYJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane
• IUPAC Traditional name: 1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane
• Synonyms: Perfluorotetramethylcyclohexane 97%

Database IDs

• MDL Number: MFCD09258992
• PubChem SID: 162080783
• PubChem CID: 2776376

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9597726
• LogD (pH = 7.4): 5.9597726
• Log P: 5.9597726
• Molar Refractivity: 47.7764 cm^3
• Polarizability: 19.19154 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 144-146°C

Safety Information

• Storage Warning: Irritant