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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Zixoryn, 56430-99-0, Zyxorin, Flumecinol [inn], Rgh-3332, 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

Molecular Formula

C₁₆H₁₅F₃O

Molecular Weight

280.28 g/mol

InChI Key

DVASNQYQOZHAJN-UHFFFAOYSA-N

FDA UNII

VWK2338NBP

1 2D Structure

Flumecinol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

2.1.2 InChI

InChI=1S/C16H15F3O/c1-2-15(20,12-7-4-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h3-11,20H,2H2,1H3

2.1.3 InChI Key

DVASNQYQOZHAJN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C1=CC=CC=C1)(C2=CC(=CC=C2)C(F)(F)F)O

2.2 Other Identifiers

2.2.1 UNII

VWK2338NBP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(3-trifluoromethylphenyl)-1-phenylpropanol

2. Flumacinol

3. Flumatsynol

4. M-trifluoromethyl-alpha-ethylbenzhydrol

5. Rgh 3332

6. Ziksorin

7. Zixoryn

8. Zyxorin

2.3.2 Depositor-Supplied Synonyms

1. Zixoryn

2. 56430-99-0

3. Zyxorin

4. Flumecinol [inn]

5. Rgh-3332

6. 1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol

7. (+)-flumecinol

8. Alpha-ethyl-3-(trifluoromethyl)benzhydrol

9. Flumecinol, (+)-

10. Flumecinol, (-)-

11. Jb0ya8ldow

12. Fmz2l5l8wh

13. Vwk2338nbp

14. 1-phenyl-1-(3-(trifluoromethyl)phenyl)propan-1-ol

15. Flumecinolum

16. Flumecinolum [inn-latin]

17. 107317-30-6

18. 107317-31-7

19. Unii-jb0ya8ldow

20. Einecs 260-176-1

21. 3-trifluoromethyl-alpha-ethylbenzhydrol

22. Brn 2138833

23. Alpha-ethyl-alpha-phenyl-3-(trifluoromethyl)-benzenemethanol

24. Flumecinol [mi]

25. Unii-fmz2l5l8wh

26. Benzhydrol, Alpha-ethyl-3-(trifluoromethyl)-

27. Unii-vwk2338nbp

28. Flumecinol [mart.]

29. Flumecinol [who-dd]

30. (+/-)-flumecinol

31. Schembl667363

32. Chembl2107440

33. Dtxsid80866560

34. Chebi:135160

35. Benzenemethanol, Alpha-ethyl-alpha-phenyl-3-(trifluoromethyl)-

36. Benzenemethanol, .alpha.-ethyl-.alpha.-phenyl-3-(trifluoromethyl)-

37. Mfcd00867388

38. Akos012083421

39. M-trifluoromethyl-alpha-ethylbenzhydrol

40. 3-trifluoromethyl-alpha-ethyl-benzhydrol

41. .alpha.-ethyl-3-(trifluoromethyl)benzhydrol

42. 3-(trifluoromethyl)-.alpha.-ethylbenzhydrol

43. Ethyl Phenyl 3-trifluoromethylphenyl Carbinol

44. Q27281410

45. 1-(3-trifluoromethylphenyl)-1-phenylpropan-1-ol

46. Z2301518221

47. Benzenemethanol, Alpha-ethyl-alpha-phenyl-3-(trifluoromethyl)-, (+)-

48. Benzenemethanol, Alpha-ethyl-alpha-phenyl-3-(trifluoromethyl)-, (-)-

49. Benzenemethanol, .alpha.-ethyl-.alpha.-phenyl-3-(trifluoromethyl)-, (+)-

50. Benzenemethanol, .alpha.-ethyl-.alpha.-phenyl-3-(trifluoromethyl)-, (-)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₅F₃O
Molecular Weight	280.28 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	280.10749958 g/mol
Monoisotopic Mass	280.10749958 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	309
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1