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Chemistry

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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

CT-388
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 Weight 233.19 g/mol
Molecular Formula C10H10F3NO2
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area63.3
Heavy Atom Count16
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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