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Also known as: 160969-03-9, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl methanesulfonate, 2-[2-trifluoroethoxyphenoxy]ethyl methanesulfonate, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylmethanesulfonate, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl (methanesulfonate), Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, 1-methanesulfonate
Molecular Formula
C11H13F3O5S
Molecular Weight
314.28  g/mol
InChI Key
HOJMCBMXHWZNKX-UHFFFAOYSA-N

CAS 160969-03-9
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-trifluoroethoxyphenoxy]ethyl Methanesulfonate

4. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylmethanesulfonate

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

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

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

8. Ak-87340

9. Schembl523880

10. Dtxsid60441213

11. Bcp12487

12. Cs-m1431

13. Mfcd16038209

14. Zinc38983150

15. Akos015890261

16. Ac-23949

17. As-18730

18. Trifluoroethoxyphenoxy]ethyl Methanesulfonate

19. Am20090781

20. Ft-0658216

21. T3505

22. F16044

23. 969t039

24. A810209

25. Benzoic Acid,3-amino-5-fluoro-4-methyl-,ethyl Ester

26. 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl Methansulfonate

27. 2-2-(2,2,2-trifluoroethoxy)phenoxyethyl Methanesulfonate

28. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)-ethyl Methanesulfonate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 314.28 g/mol
Molecular Formula C11H13F3O5S
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass314.04357917 g/mol
Monoisotopic Mass314.04357917 g/mol
Topological Polar Surface Area70.2 Ų
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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