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    Technical details about 287930-75-0, learn more about the structure, uses, toxicity, action, side effects and more

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    287930-75-0

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    2D Structure
    Also known as: 287930-75-0, (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one, (2r)-4-benzyl-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}morpholin-3-one, (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)-phenyl)ethoxy)morpholin-3-one, (2r)-4-benzyl-2-((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one, Schembl23421475
    Molecular Formula
    C21H19F6NO3
    Molecular Weight
    447.4  g/mol
    InChI Key
    KVPJNHLVRGUYGQ-BFUOFWGJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
    2.1.2 InChI
    InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19-/m1/s1
    2.1.3 InChI Key
    KVPJNHLVRGUYGQ-BFUOFWGJSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(=O)N(CCO2)CC3=CC=CC=C3
    2.1.5 Isomeric SMILES
    C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2C(=O)N(CCO2)CC3=CC=CC=C3
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 287930-75-0

    2. (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one

    3. (2r)-4-benzyl-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}morpholin-3-one

    4. (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)-phenyl)ethoxy)morpholin-3-one

    5. (2r)-4-benzyl-2-((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one

    6. Schembl23421475

    7. Dtxsid90436990

    8. Bcp21361

    9. Mfcd22494935

    10. Akos015999459

    11. Am84892

    12. Mg-0724

    13. (r)-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-benzylmorpholin-3-one

    14. Cs-0450624

    15. 3-morpholinone, 2-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2r)-

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 447.4 g/mol
    Molecular Formula C21H19F6NO3
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area38.8
    Heavy Atom Count31
    Formal Charge0
    Complexity583
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1