Cas no 2070-78-2 (Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluoro-)

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluoro- structure
2070-78-2 structure
Product Name:Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluoro-
CAS No:2070-78-2
MF:C8H2F16
MW:402.07593870163
CID:1395617
PubChem ID:21339936
Update Time:2025-04-20

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluoro- Chemical and Physical Properties

Names and Identifiers

    • 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane
    • Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluoro-
    • MZEWTRVTJJVHCA-UHFFFAOYSA-N
    • DTXSID50612617
    • NS00079471
    • SCHEMBL10454652
    • 2070-78-2
    • Inchi: 1S/C8H2F16/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
    • InChI Key: MZEWTRVTJJVHCA-UHFFFAOYSA-N
    • SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(CF)(F)F)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 401.99006
  • Monoisotopic Mass: 401.9901007g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 455
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.7
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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