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Also known as: 14464-68-7, 3-(trifluoromethyl)-l-phenylalanine, 3-trifluoromethyl-l-phenylalanine, L-3-trifluoromethylphenylalanine, (2s)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid, L-3-trifluoromethyphenylalanine

Molecular Formula

C₁₀H₁₀F₃NO₂

Molecular Weight

233.19 g/mol

InChI Key

BURBNIPKSRJAIQ-QMMMGPOBSA-N

1 2D Structure

CT-388

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid

2.1.2 InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1

2.1.3 InChI Key

BURBNIPKSRJAIQ-QMMMGPOBSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 14464-68-7

2. 3-(trifluoromethyl)-l-phenylalanine

3. 3-trifluoromethyl-l-phenylalanine

4. L-3-trifluoromethylphenylalanine

5. (2s)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic Acid

6. L-3-trifluoromethyphenylalanine

7. L-phenylalanine, 3-(trifluoromethyl)-

8. Mfcd00044945

9. (2s)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic Acid

10. D-3-trifluoromethyphenylalanine

11. L-3-trifluoromethylphe

12. Phenylalanine, 3-(trifluoromethyl)-

13. Schembl44156

14. (s)-2-amino-3-(3-(trifluoromethyl)phenyl)propanoicacid

15. Chembl4247645

16. Chebi:232678

17. Akos010366800

18. Akos015852790

19. Ac-5862

20. Js-4131

21. Cs-0312896

22. A50119

23. En300-199898

24. 3-(trifluoromethyl)-l-phenylalanine, >=96% (hplc)

25. D-phenylalanine,3-(trifluoromethyl)-,hydrochloride(9ci)

26. Fx9

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀F₃NO₂
Molecular Weight	233.19 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	63.3
Heavy Atom Count	16
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1