Cas no 38550-46-8 (1-Tridecanol,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-iodo-)

1-Tridecanol,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-iodo- structure
38550-46-8 structure
Product Name:1-Tridecanol,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-iodo-
CAS No:38550-46-8
MF:C13H6F21IO
MW:704.05709028244
CID:322524
PubChem ID:170066
Update Time:2025-04-19

1-Tridecanol,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-iodo- Chemical and Physical Properties

Names and Identifiers

    • 1-Tridecanol,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-iodo-
    • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-iodotridecan-1-ol
    • DTXSID30895507
    • NS00110038
    • 1-Tridecanol, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heneicosafluoro-2-iodo-
    • QUGHSSKHWRLWSL-UHFFFAOYSA-N
    • 38550-46-8
    • Inchi: 1S/C13H6F21IO/c14-4(15,1-3(35)2-36)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3,36H,1-2H2
    • InChI Key: QUGHSSKHWRLWSL-UHFFFAOYSA-N
    • SMILES: IC(CO)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Computed Properties

  • Exact Mass: 703.91228
  • Monoisotopic Mass: 703.913
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 11
  • Complexity: 783
  • 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: 8.1
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.878
  • Boiling Point: 278.2°Cat760mmHg
  • Flash Point: 122°C
  • Refractive Index: 1.346
  • PSA: 20.23
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