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

• ChemBase ID: 97989
• Molecular Formular: C9F18
• Molecular Mass: 450.0675576
• Monoisotopic Mass: 449.97125796
• SMILES: FC1(C(C(C(F)(F)C(C1(C(F)(F)C(F)(C(F)(F)F)F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9F18/c10-1(4(15,16)8(23,24)9(25,26)27)2(11,12)5(17,18)7(21,22)6(19,20)3(1,13)14
• InChIKey: ITPKQVFBLQIXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(heptafluoropropyl)cyclohexane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(heptafluoropropyl)cyclohexane
• Synonyms: (Heptafluoropropyl)undecafluorocyclohexane; Octadecafluoro(propylcyclohexane); Perfluoro(propylcyclohexane)

Database IDs

• CAS Number: 374-59-4
• PubChem SID: 162084464
• PubChem CID: 13033451

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.044121
• LogD (pH = 7.4): 6.044121
• Log P: 6.044121
• Molar Refractivity: 42.2861 cm^3
• Polarizability: 17.26609 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant