Cas no 2261-09-8 (hexyl undecafluorohexanoate)

hexyl undecafluorohexanoate structure
hexyl undecafluorohexanoate structure
Product Name:hexyl undecafluorohexanoate
CAS No:2261-09-8
MF:C12H13F11O2
MW:398.212862730026
CID:1410888
PubChem ID:526463
Update Time:2025-04-20

hexyl undecafluorohexanoate Chemical and Physical Properties

Names and Identifiers

    • hexyl undecafluorohexanoate
    • 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester
    • hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, hexyl ester
    • 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester; hexanoic acid, 2,2,3,3,4,4,5,5,6,6,6-undecafluoro-, hexyl ester; Hexyl undecafluorohexanoate
    • Hexanoic acid, undecafluoro-, hexyl ester
    • TXJKATBVTOHLTD-UHFFFAOYSA-N
    • DTXSID70335699
    • 4-(5-Chloro-3-methyl-1-benzothien-2-yl)-2-phenyl-1,3-thiazole
    • 2261-09-8
    • Hexyl perfluorohexanoate
    • Inchi： 1S/C12H13F11O2/c1-2-3-4-5-6-25-7(24)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3
    • InChI Key： TXJKATBVTOHLTD-UHFFFAOYSA-N
    • SMILES： FC(C(C(F)(F)F)(F)F)(C(C(C(=O)OCCCCCC)(F)F)(F)F)F

Computed Properties

  • Exact Mass: 398.07399
  • Monoisotopic Mass: 398.07398944g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 10
  • Complexity: 457
  • 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: 6.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

hexyl undecafluorohexanoate Related Literature

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