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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

CAS 1171331-39-7
1 2D Structure

CAS 1171331-39-7

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

BUILDING BLOCK

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