CAS 345-92-6

Chemistry

Chemistry

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

CAS 345-92-6

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 Formula	C₁₃H₈F₂O
Molecular Weight	218.20 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	218.05432120 g/mol
Monoisotopic Mass	218.05432120 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

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CAS 345-92-6

CAS 345-92-6

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