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 Formula	C₄H₈ClF₃N₂O
Molecular Weight	192.57 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	192.0277251 g/mol
Monoisotopic Mass	192.0277251 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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	2

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