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2D Structure
Also known as: 1171331-39-7, 2-amino-n-(2,2,2-trifluoroethyl)acetamide;hydrochloride, Mfcd12197070, 2-amino-n-(2,2,2-trifluoroethyl)acetamide hcl, 2-amino-n-(2,2,2-trifluoroethyl)acetamidehydrochloride, Ec 806-518-0
Molecular Formula
C4H8ClF3N2O
Molecular Weight
192.57  g/mol
InChI Key
DBNFKWRZLGVLSH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
2.1.2 InChI
InChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H
2.1.3 InChI Key
DBNFKWRZLGVLSH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(C(=O)NCC(F)(F)F)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1171331-39-7

2. 2-amino-n-(2,2,2-trifluoroethyl)acetamide;hydrochloride

3. Mfcd12197070

4. 2-amino-n-(2,2,2-trifluoroethyl)acetamide Hcl

5. 2-amino-n-(2,2,2-trifluoroethyl)acetamidehydrochloride

6. Ec 806-518-0

7. Schembl1289973

8. 2-amino-n-(2,2,2-trifluoroethyl)acetamide Hydrochloride (1:1)

9. Amy37883

10. Wwb33139

11. Akos008013808

12. Ds-9384

13. Sb30984

14. Sy121034

15. Cs-0136950

16. En300-44082

17. C71549

18. 2-amino-n-(2,2,2-trifluoroethyl) Acetamide Hydrochloride

19. 2-amino-n-(2,2,2-trifluoroethyl)acetamide Hydrochloride, Aldrichcpr

20. Acetamide, 2-amino-n-(2,2,2-trifluoroethyl)-, Hydrochloride (1:1)

2.3 Create Date
2009-07-20
3 Chemical and Physical Properties
Molecular Weight 192.57 g/mol
Molecular Formula C4H8ClF3N2O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass192.0277251 g/mol
Monoisotopic Mass192.0277251 g/mol
Topological Polar Surface Area55.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2