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    CAS 345-92-6

    PharmaCompass
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    2D Structure
    Also known as: 345-92-6, Bis(4-fluorophenyl)methanone, Bis(4-fluorophenyl)-methanone, Methanone, bis(4-fluorophenyl)-, Di-p-fluorophenyl ketone, P,p'-difluorobenzophenone
    Molecular Formula
    C13H8F2O
    Molecular Weight
    218.20  g/mol
    InChI Key
    LSQARZALBDFYQZ-UHFFFAOYSA-N
    FDA UNII
    88BNC11B9C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    bis(4-fluorophenyl)methanone
    2.1.2 InChI
    InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
    2.1.3 InChI Key
    LSQARZALBDFYQZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    88BNC11B9C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. M-3-dfbp

    2.3.2 Depositor-Supplied Synonyms

    1. 345-92-6

    2. Bis(4-fluorophenyl)methanone

    3. Bis(4-fluorophenyl)-methanone

    4. Methanone, Bis(4-fluorophenyl)-

    5. Di-p-fluorophenyl Ketone

    6. P,p'-difluorobenzophenone

    7. Bis(4-fluorophenyl) Ketone

    8. Bis(p-fluorophenyl) Ketone

    9. Mfcd00000353

    10. Nsc 51800

    11. Benzophenone, 4,4'-difluoro-

    12. 4,4'-difluorodiphenylmethanone

    13. 88bnc11b9c

    14. Bis-(4-fluoro-phenyl)-methanone

    15. Nsc-51800

    16. Einecs 206-466-3

    17. 4,4'-difluoro Benzophenone

    18. Brn 0516231

    19. Unii-88bnc11b9c

    20. P-fluorophenyl Ketone

    21. Rho-fluorophenyl Ketone

    22. P,p'-difluorbenzophenon

    23. Wln: Fr Dvr Df

    24. 4,4' Difluorobenzophenone

    25. 4,4'-diflourobenzophenone

    26. Benzophenone,4'-difluoro-

    27. Ec 206-466-3

    28. 4,4 '-difluorobenzophenone

    29. 4-07-00-01374 (beilstein Handbook Reference)

    30. Schembl238259

    31. Bis-(4-fluoro-phenyl)methanone

    32. Dtxsid30188062

    33. 4,4'-difluorobenzophenone, 99%

    34. Zinc105200

    35. Amy37092

    36. Nsc51800

    37. Akos005063569

    38. Ccg-245138

    39. Ac-10924

    40. Db-014390

    41. Cs-0015469

    42. D1797

    43. Ft-0617045

    44. 4,4'-difluorobenzophenone, Analytical Standard

    45. D72510

    46. 345d926

    47. 4,4 Inverted Exclamation Mark -difluorobenzophenone

    48. Q4637051

    49. W-106721

    50. 4,4'-difluorobenzophenone, Tracecert(r), Certified Reference Material, 19f-qnmr Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 218.20 g/mol
    Molecular Formula C13H8F2O
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass218.05432120 g/mol
    Monoisotopic Mass218.05432120 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity214
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Bis(4-fluorophenyl)methanone is a known human metabolite of flunarizine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560