CAS 160969-03-9

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Chemistry

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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

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 Formula	C₁₁H₁₃F₃O₅S
Molecular Weight	314.28 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	314.04357917 g/mol
Monoisotopic Mass	314.04357917 g/mol
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	377
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