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    Perfluorohexyloctane

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    Perfluorohexyloctane

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    2D Structure
    Also known as: 133331-77-8, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane, Perfluorohexyloctane, 7vyx4elwqm, Perfluorohexyloctane [who-dd], 1,1,1,2,2,3,3,4,4,5,5,6,6,-tridecafluorotetradecane
    Molecular Formula
    C14H17F13
    Molecular Weight
    432.26  g/mol
    InChI Key
    WRYIIOKOQSICTB-UHFFFAOYSA-N
    FDA UNII
    7VYX4ELWQM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
    2.1.2 InChI
    InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3
    2.1.3 InChI Key
    WRYIIOKOQSICTB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    7VYX4ELWQM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. F6h8 Cpd

    2. Perfluorhexyl-octan

    3. Perfluorohexyl-octan

    4. Perfluorohexyloctane

    2.3.2 Depositor-Supplied Synonyms

    1. 133331-77-8

    2. 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane

    3. Perfluorohexyloctane

    4. 7vyx4elwqm

    5. Perfluorohexyloctane [who-dd]

    6. 1,1,1,2,2,3,3,4,4,5,5,6,6,-tridecafluorotetradecane

    7. 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane F 6h8

    8. Tetradecane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-

    9. Starbld0000620

    10. Unii-7vyx4elwqm

    11. 1-(tridecafluorohexyl)octane

    12. Schembl890448

    13. Dtxsid20440585

    14. Mfcd07784188

    15. Akos015911101

    16. Zinc100046937

    17. Bs-20913

    18. Cs-0205555

    19. A806597

    20. J-006351

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 432.26 g/mol
    Molecular Formula C14H17F13
    XLogP38.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count11
    Exact Mass432.1122666 g/mol
    Monoisotopic Mass432.1122666 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity464
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1