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2D Structure
Also known as: 667-27-6, Ethyl 2-bromo-2,2-difluoroacetate, Ethylbromodifluoroacetate, Bromodifluoroacetic acid ethyl ester, Acetic acid, bromodifluoro-, ethyl ester, Ethyl difluorobromoacetate
Molecular Formula
C4H5BrF2O2
Molecular Weight
202.98  g/mol
InChI Key
IRSJDVYTJUCXRV-UHFFFAOYSA-N
FDA UNII
2QFZ6JJ5YH

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-bromo-2,2-difluoroacetate
2.1.2 InChI
InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
2.1.3 InChI Key
IRSJDVYTJUCXRV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(F)(F)Br
2.2 Other Identifiers
2.2.1 UNII
2QFZ6JJ5YH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 667-27-6

2. Ethyl 2-bromo-2,2-difluoroacetate

3. Ethylbromodifluoroacetate

4. Bromodifluoroacetic Acid Ethyl Ester

5. Acetic Acid, Bromodifluoro-, Ethyl Ester

6. Ethyl Difluorobromoacetate

7. 2qfz6jj5yh

8. Ethyl Bromo(difluoro)acetate

9. 2-bromo-2,2-difluoroacetic Acid Ethyl Ester

10. Einecs 211-567-0

11. Ethyl 2-bromo-2,2-difluoro-acetate

12. Mfcd00042069

13. Cbrf2cooch2ch3

14. Unii-2qfz6jj5yh

15. Ethyl 2-bromodifluoroacetate

16. Ethyl Bromo Difluoro Acetate

17. Schembl162440

18. Ethyl Bromodifluoroacetate, 98%

19. Irsjdvytjucxrv-uhfffaoysa-

20. Amy3632

21. Dtxsid40216845

22. Ethyl 2,2-difluoro-2-bromoacetate

23. Act02752

24. Bcp11101

25. Cs-d1417

26. Zinc1845846

27. Bromodifluoro Acetic Acid Ethyl Ester

28. Bromodifluoro-acetic Acid Ethyl Ester

29. Akos005258594

30. Bromo-difluoro-acetic Acid Ethyl Ester

31. Ethyl Bromo-alpha,alpha-difluoroacetate

32. Fs-4453

33. Bp-10583

34. 2-bromo2,2-difluoroacetic Acid Ethyl Ester

35. Db-029758

36. Aceticacid,2-bromo-2,2-difluoro-,ethylester

37. Ft-0623240

38. Acetic Acid, 2-bromo-2,2-difluoro-, Ethyl Ester

39. Q-102548

40. F0001-2628

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 202.98 g/mol
Molecular Formula C4H5BrF2O2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass201.94410 g/mol
Monoisotopic Mass201.94410 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1