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CAS 160969-03-9
PharmaCompass
CAS 160969-03-9
Also known as: 160969-03-9, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl methanesulfonate, Ak-87340, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl (methanesulfonate), Methanesulfonic acid 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl ester
Molecular Formula
C11H13F3O5S
Molecular Weight
314.275  g/mol
InChI Key
HOJMCBMXHWZNKX-UHFFFAOYSA-N

1 2D Structure

CAS 160969-03-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate
2.1.2 InChI
InChI=1S/C11H13F3O5S/c1-20(15,16)19-7-6-17-9-4-2-3-5-10(9)18-8-11(12,13)14/h2-5H,6-8H2,1H3
2.1.3 InChI Key
HOJMCBMXHWZNKX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 160969-03-9

2. 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl Methanesulfonate

3. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl Methanesulfonate

4. Ak-87340

5. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl (methanesulfonate)

6. Methanesulfonic Acid 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl Ester

7. 2-[2-trifluoroethoxyphenoxy]ethyl Methanesulfonate

8. Schembl523880

9. C11h13f3o5s

10. Ctk8b4506

11. Ks-00000psh

12. Dtxsid60441213

13. Molport-019-992-587

14. Cs-m1431

15. Anw-45354

16. Ct0095

17. Mfcd16038209

18. Zinc38983150

19. Akos015890261

20. Rl02065

21. Ac-23949

22. Aj-97273

23. An-31072

24. As-18730

25. Kb-19273

26. Or066843

27. Ab1009213

28. Ax8226870

29. Tc-134099

30. 4ch-011511

31. Am20090781

32. Ft-0658216

33. St24021645

34. St51052067

35. X1057

36. 2-?2-trifluoroethoxyphenoxy?ethyl Methanesulfonate

37. 969t039

38. A810209

39. I01-6355

40. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylmethanesulfonate

41. 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl Methansulfonate

42. 2-2-(2,2,2-trifluoroethoxy)phenoxyethyl Methanesulfonate

43. 2-[2-(2,2,2-trifluoroethyloxy)phenoxy]ethyl Methanesulfonate

44. 2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]ethyl Methanesulfonate

45. Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, 1-methanesulfonate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 314.275 g/mol
Molecular Formula C11H13F3O5S
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass314.044 g/mol
Monoisotopic Mass314.044 g/mol
Topological Polar Surface Area70.2 A^2
Heavy Atom Count20
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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