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    Perflubrodec

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Perfluorodecyl bromide, 307-43-7, 1-bromohenicosafluorodecane, Perflubrodec [inn], Af0144, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
    Molecular Formula
    C10BrF21
    Molecular Weight
    598.98  g/mol
    InChI Key
    JCAULFRGWRHHIG-UHFFFAOYSA-N
    FDA UNII
    4818HEA280
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
    2.1.2 InChI
    InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32
    2.1.3 InChI Key
    JCAULFRGWRHHIG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    4818HEA280
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Perfluorodecyl Bromide

    2.3.2 Depositor-Supplied Synonyms

    1. Perfluorodecyl Bromide

    2. 307-43-7

    3. 1-bromohenicosafluorodecane

    4. Perflubrodec [inn]

    5. Af0144

    6. 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

    7. 4818hea280

    8. Af-0144

    9. Decane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-

    10. Component Of Oxygent

    11. Component Of Af0144

    12. Perflubrodec [usan:inn]

    13. Unii-4818hea280

    14. Einecs 206-201-1

    15. Perflubrodec (usan/inn)

    16. Perflubrodec [usan]

    17. Schembl364093

    18. Chembl2105425

    19. Dtxsid70184725

    20. 1-bromoheneicosafluorodecane

    21. Mfcd16620447

    22. Zinc56898836

    23. D08965

    24. 307p437

    25. Q27259089

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 598.98 g/mol
    Molecular Formula C10BrF21
    XLogP38.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count21
    Rotatable Bond Count8
    Exact Mass597.88480 g/mol
    Monoisotopic Mass597.88480 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity698
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1