Cas no 54009-79-9 (Oxirane,2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]-)

Oxirane,2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]- structure
54009-79-9 structure
Product Name:Oxirane,2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]-
CAS No:54009-79-9
MF:C20H5F35O
MW:926.197229146957
CID:373887
PubChem ID:5743511
Update Time:2025-04-19

Oxirane,2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]- Chemical and Physical Properties

Names and Identifiers

    • Oxirane,2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]-
    • [2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane
    • 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane
    • (2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-Dotriacontafluoro-16-(trifluoromethyl)heptadecyl)oxirane
    • DTXSID10880471
    • OKXFOOHGEWKLIY-UHFFFAOYSA-N
    • 54009-79-9
    • (1H,1H-Perfluoro-16-methylheptadecyl)oxirane
    • NS00011215
    • EINECS 258-920-5
    • Inchi: 1S/C20H5F35O/c21-4(22,1-3-2-56-3)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)18(48,49)17(46,47)15(42,43)13(38,39)11(34,35)9(30,31)7(26,27)5(23,19(50,51)52)20(53,54)55/h3H,1-2H2
    • InChI Key: OKXFOOHGEWKLIY-UHFFFAOYSA-N
    • SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(CC1CO1)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 925.97805
  • Monoisotopic Mass: 925.9781505g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 36
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 16
  • Complexity: 1430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 12.1
  • Topological Polar Surface Area: 12.5?2

Experimental Properties

  • PSA: 12.53

Oxirane,2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]- Related Literature

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