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    CAS 88699-84-7

    PharmaCompass
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    2D Structure
    Also known as: 88699-84-7, 61747-22-6, (ne)-n-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine, X5002xn6wq, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone oxime, N-(5-methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (e)-
    Molecular Formula
    C13H16F3NO2
    Molecular Weight
    275.27  g/mol
    InChI Key
    UDCRPPVSQRFBKJ-SFQUDFHCSA-N
    FDA UNII
    X5002XN6WQ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (NE)-N-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine
    2.1.2 InChI
    InChI=1S/C13H16F3NO2/c1-19-9-3-2-4-12(17-18)10-5-7-11(8-6-10)13(14,15)16/h5-8,18H,2-4,9H2,1H3/b17-12+
    2.1.3 InChI Key
    UDCRPPVSQRFBKJ-SFQUDFHCSA-N
    2.1.4 Canonical SMILES
    COCCCCC(=NO)C1=CC=C(C=C1)C(F)(F)F
    2.1.5 Isomeric SMILES
    COCCCC/C(=N\O)/C1=CC=C(C=C1)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    X5002XN6WQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 88699-84-7

    2. 61747-22-6

    3. (ne)-n-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]hydroxylamine

    4. X5002xn6wq

    5. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Oxime

    6. N-(5-methoxy-1-(4-(trifluoromethyl)phenyl)pentylidene)hydroxylamine, (e)-

    7. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-oneoxime

    8. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone Oxime(fluvoxamine Impurity)

    9. 1-pentanone-5-methoxy-1-[4-(trifluoromethyl)phenyl]-oxime

    10. 1-pentanone,5-methoxy-1-[4-(trifluoromethyl)phenyl]-, Oxime, (1e)-

    11. Unii-x5002xn6wq

    12. (e)-5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one Oxime

    13. Schembl16220739

    14. Zinc22007134

    15. Des(ethylamine) Fluvoxamine Oxime

    16. D96090

    17. 747m226

    18. A868643

    19. Fluvoxamine Maleate Impurity I [ep Impurity]

    20. 5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanoneoxime

    21. 1-pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, Oxime, (1e)-

    22. Fluvoxamine Maleate Impurity, 5-methoxy-4'-(trifluoromethyl)valerophenone Oxime- [usp Impurity]

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 275.27 g/mol
    Molecular Formula C13H16F3NO2
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass275.11331324 g/mol
    Monoisotopic Mass275.11331324 g/mol
    Topological Polar Surface Area41.8 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity284
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1