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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

BUILDING BLOCK

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