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    Pirepemat

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Irl752, Irl-752, Js88rk5noi, 1227638-29-0, (s)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine, (3s)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
    Molecular Formula
    C11H13F2NO
    Molecular Weight
    213.22  g/mol
    InChI Key
    LJNFYMMXCXGFCP-LLVKDONJSA-N
    FDA UNII
    JS88RK5NOI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine
    2.1.2 InChI
    InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1
    2.1.3 InChI Key
    LJNFYMMXCXGFCP-LLVKDONJSA-N
    2.1.4 Canonical SMILES
    COC1(CCNC1)C2=C(C(=CC=C2)F)F
    2.1.5 Isomeric SMILES
    CO[C@@]1(CCNC1)C2=C(C(=CC=C2)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    JS88RK5NOI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Irl752

    2. Irl-752

    3. Js88rk5noi

    4. 1227638-29-0

    5. (s)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

    6. (3s)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

    7. Pyrrolidine, 3-(2,3-difluorophenyl)-3-methoxy-, (+)-

    8. Starbld0005378

    9. Pirepemat [inn]

    10. Unii-js88rk5noi

    11. Chembl5095193

    12. Schembl20563768

    13. Gtpl11098

    14. Irl 752

    15. At34690

    16. Ms-23167

    17. Hy-137447

    18. Cs-0138652

    19. Pyrrolidine, 3-(2,3-difluorophenyl)-3-methoxy-, (3s)-

    2.4 Create Date
    2018-12-15
    3 Chemical and Physical Properties
    Molecular Weight 213.22 g/mol
    Molecular Formula C11H13F2NO
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area21.3
    Heavy Atom Count15
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1