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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 80076-46-6, 5,6-difluoro-1,2,3,4-tetrahydro-2-methylquinoline, Schembl9598979, Dtxsid70444659, Mfcd20681385, Pb47941
    Molecular Formula
    C10H11F2N
    Molecular Weight
    183.20  g/mol
    InChI Key
    CEKODOXMQSFDIZ-UHFFFAOYSA-N
    CAS 80076-46-6
    1 2D Structure

    CAS 80076-46-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,6-difluoro-2-methyl-1,2,3,4-tetrahydroquinoline
    2.1.2 InChI
    InChI=1S/C10H11F2N/c1-6-2-3-7-9(13-6)5-4-8(11)10(7)12/h4-6,13H,2-3H2,1H3
    2.1.3 InChI Key
    CEKODOXMQSFDIZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1CCC2=C(N1)C=CC(=C2F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 80076-46-6

    2. 5,6-difluoro-1,2,3,4-tetrahydro-2-methylquinoline

    3. Schembl9598979

    4. Dtxsid70444659

    5. Mfcd20681385

    6. Pb47941

    7. As-83319

    8. Da-02681

    9. Cs-0369579

    10. Ft-0750590

    11. E82730

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 183.20 g/mol
    Molecular Formula C10H11F2N
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass183.08595568 g/mol
    Monoisotopic Mass183.08595568 g/mol
    Topological Polar Surface Area12 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity186
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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