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    CAS 204205-33-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 204205-33-4, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone, Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-, 2-bromo-1-cyclopropyl-2-(2-fluoro-phenyl)-ethanone, Mfcd11977644, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethan-1-one
    Molecular Formula
    C11H10BrFO
    Molecular Weight
    257.10  g/mol
    InChI Key
    LMCZCCDXOZGIND-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
    2.1.3 InChI Key
    LMCZCCDXOZGIND-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1C(=O)C(C2=CC=CC=C2F)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 204205-33-4

    2. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

    3. Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-

    4. 2-bromo-1-cyclopropyl-2-(2-fluoro-phenyl)-ethanone

    5. Mfcd11977644

    6. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethan-1-one

    7. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-ethanone

    8. Schembl242256

    9. Dtxsid60634062

    10. Bcp11003

    11. Akos015854297

    12. Sb35193

    13. Ac-22646

    14. As-11428

    15. Cyclopropyl Carbonyl-2-fluorobenzylbromide

    16. Sy067317

    17. Db-027830

    18. Am20090723

    19. B6031

    20. Ft-0649302

    21. Alpha-cyclopropylcarbonyl-2-fluorobenzylbromide

    22. Alpha-cyclopropylcarbonyl-2-fluorobenzyl Bromide

    23. 2-bromo-2-(2-fluorophenyl)-1-cyclopropylethanon

    24. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-etanon

    25. 2-bromo-1-cyclopropyl-2-(2-fluorphenyl)-ethanon

    26. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl) Ethanone

    27. 2-bromo-2-(2-fluorophenyl)-1-cyclopropyl-ethanone

    28. J-508185

    29. 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-?ethanone

    30. Ethanone,2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-

    2.3 Create Date
    2007-12-06
    3 Chemical and Physical Properties
    Molecular Weight 257.10 g/mol
    Molecular Formula C11H10BrFO
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass255.98991 g/mol
    Monoisotopic Mass255.98991 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1