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

• ChemBase ID: 12076
• Molecular Formular: C11F22O
• Molecular Mass: 566.0819704
• Monoisotopic Mass: 565.95978546
• SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(C(C(F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(OC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11F22O/c12-1(4(17,18)9(26,27)28)2(13,14)5(19,20)6(21,22)8(25,3(1,15)16)34-11(32,33)7(23,24)10(29,30)31
• InChIKey: KJWVJLNGXBWWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(heptafluoropropoxy)-6-(pentafluoroethyl)cyclohexane
• IUPAC Traditional name: 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(heptafluoropropoxy)-6-(pentafluoroethyl)cyclohexane
• Synonyms: Perfluoro(1-ethyl-3-propoxycyclohexane); Perfluoro(1-ethyl-3-propoxycyclohexane) 97%

Database IDs

• CAS Number: 400626-82-6
• MDL Number: MFCD03094121
• PubChem SID: 160975383
• PubChem CID: 2776113

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.730151
• LogD (pH = 7.4): 7.730151
• Log P: 7.730151
• Molar Refractivity: 54.4334 cm^3
• Polarizability: 21.930302 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%