Cas no 123524-58-3 (Benzene, 1,4-dimethyl-2-(tridecafluorohexyl)-)

Benzene, 1,4-dimethyl-2-(tridecafluorohexyl)- structure
123524-58-3 structure
Product Name:Benzene, 1,4-dimethyl-2-(tridecafluorohexyl)-
CAS No:123524-58-3
MF:C14H9F13
MW:424.200509786606
CID:1215167
PubChem ID:14923061
Update Time:2025-04-20

Benzene, 1,4-dimethyl-2-(tridecafluorohexyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,4-dimethyl-2-(tridecafluorohexyl)-
    • 1,4-Dimethyl-2-(tridecafluorohexyl)benzene
    • SCHEMBL13475530
    • PTWQEKZPSMBKGD-UHFFFAOYSA-N
    • DTXSID20895915
    • NS00109713
    • 123524-58-3
    • Inchi: 1S/C14H9F13/c1-6-3-4-7(2)8(5-6)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3-5H,1-2H3
    • InChI Key: PTWQEKZPSMBKGD-UHFFFAOYSA-N
    • SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C1C=C(C)C=CC=1C)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 424.04967
  • Monoisotopic Mass: 424.0496664g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 534
  • 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: 6.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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