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

• ChemBase ID: 12107
• Molecular Formular: C10F20
• Molecular Mass: 500.075064
• Monoisotopic Mass: 499.9680644
• SMILES: C1(C(C(C(C(C1(F)F)(C(F)(F)F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C1(F)C(F)(C(F)(F)F)C(F)(F)C(C(C1(F)F)(F)C(F)(F)F)(F)C(F)(F)F)(F)F
• InChI: InChI=1S/C10F20/c11-1(7(19,20)21)2(12,8(22,23)24)6(17,18)4(14,10(28,29)30)3(13,5(1,15)16)9(25,26)27
• InChIKey: XXIWRQOSNDBYRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 84808-59-3
• MDL Number: MFCD03094124
• PubChem SID: 160975414
• PubChem CID: 3546880

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: 19.19124 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false