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    Perfluoro T-Butylcyclohexane

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Oxycyte, 84808-64-0, Perfluoro[(tert-butyl)cyclohexane], Perfluoro t-butylcyclohexane, Perfluoro(tert-butylcyclohexane), Perfluoro(1,1-dimethylethyl)cyclohexane
    Molecular Formula
    C10F20
    Molecular Weight
    500.07  g/mol
    InChI Key
    VLTXBOGHSBHSAC-UHFFFAOYSA-N
    FDA UNII
    3ZX1Z33VUU
    Oxycyte has been used in trials studying the treatment of Traumatic Brain Injury.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane
    2.1.2 InChI
    InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15
    2.1.3 InChI Key
    VLTXBOGHSBHSAC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    3ZX1Z33VUU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Oxycyte

    2. Perfluoro(t-butylcyclohexane)

    2.3.2 Depositor-Supplied Synonyms

    1. Oxycyte

    2. 84808-64-0

    3. Perfluoro[(tert-butyl)cyclohexane]

    4. Perfluoro T-butylcyclohexane

    5. Perfluoro(tert-butylcyclohexane)

    6. Perfluoro(1,1-dimethylethyl)cyclohexane

    7. 3zx1z33vuu

    8. Cyclohexane, Undecafluoro(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-

    9. 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane

    10. Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-

    11. Unii-3zx1z33vuu

    12. Schembl632514

    13. Chembl4297413

    14. Dtxsid70233868

    15. Mfcd00153230

    16. Zinc59270596

    17. Db12477

    18. Perfluoro T-butylcyclohexane [inci]

    19. Q27258267

    20. 1-[2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane-2-yl]undecafluorocyclohexane

    21. [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)prop-2-yl](undecafluoro)cyclohexane,icosafluoro[(tert-butyl)cyclohexane]

    2.4 Create Date
    2007-02-12
    3 Chemical and Physical Properties
    Molecular Weight 500.07 g/mol
    Molecular Formula C10F20
    XLogP37
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count20
    Rotatable Bond Count1
    Exact Mass499.9680632 g/mol
    Monoisotopic Mass499.9680632 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity618
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1