1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2,2-trifluoro-1-pyridin-2-ylethanamine

2.1.2 InChI

InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2

2.1.3 InChI Key

SYBAWUSIVYUZIZ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 503173-14-6

2. 2,2,2-trifluoro-1-pyridin-2-yl-ethylamine

3. 2,2,2-trifluoro-1-pyridin-2-ylethanamine

4. 2,2,2-trifluoro-1-(pyridin-2-yl)ethan-1-amine

5. Mfcd05864540

6. (s)-2,2,2-trifluoro-1-(pyridin-2-yl)ethan-1-amine

7. Schembl566755

8. Dtxsid00649296

9. Albb-007848

10. Stk500794

11. Akos005171717

12. Ab22803

13. Ab39753

14. Ab39755

15. Sb37375

16. Bs-28515

17. Db-005800

18. Cs-0005384

19. En300-1930762

20. Alpha-(trifluoromethyl)-2-pyridinemethanamine

21. J-506742

22. 2,2,2-trifluoro-1-(2-pyridyl)-1-ethanamine

2.3 Create Date

2009-04-14

3 Chemical and Physical Properties

Molecular Formula	C₇H₇F₃N₂
Molecular Weight	176.14 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.9
Heavy Atom Count	12
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CT-996