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  • [Synonyms]
    NSC146412
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight306.176782 [g/mol]
    Molecular FormulaC11H9F7O2
    XLogP4.3
    H-Bond Donor1
    H-Bond Acceptor9
    Rotatable Bond Count3
    Exact Mass306.049077
    MonoIsotopic Mass306.049077
    Topological Polar Surface Area37.3
    Heavy Atom Count20
    Formal Charge0
    Complexity454
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count4
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 6-(1,1,2,2,3,3,3-heptafluoropropyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic
    acid
    Canonical SMILES: C1C2C=CC1C(C2C(=O)O)C(C(C(F)(F)F)(F)F)(F)F
    InChI: InChI=1/C11H9F7O2/c12-9(13,10(14,15)11(16,
    17)18)7-5-2-1-4(3-5)6(7)8(19)20/h1-2,4-7H,3H2,(H,19,20)/f/h19H



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