1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propane

• ChemBase ID: 12090
• Molecular Formular: C8F16O2
• Molecular Mass: 432.0588512
• Monoisotopic Mass: 431.96428076
• SMILES: O(C(=C(F)F)F)C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
• InChI: InChI=1S/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17
• InChIKey: RJBJXVAPYONTFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propane
• Synonyms: Perfluoro(5-methyl-3,6-dioxanon-1-ene)

Database IDs

• CAS Number: 1644-11-7
• MDL Number: MFCD00191479
• PubChem SID: 160975397
• PubChem CID: 102662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.222747
• LogD (pH = 7.4): 6.222747
• Log P: 6.222747
• Molar Refractivity: 65.548 cm^3
• Polarizability: 17.328768 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 103-104°C
• Density: 1.8

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%