EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

1DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 34702-59-5, (s)-2-amino-3-(perfluorophenyl)propanoic acid, L-pentafluorophe, 138109-65-6, (2s)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid, L-pentafluorophenylalanine

Molecular Formula

C₉H₆F₅NO₂

Molecular Weight

255.14 g/mol

InChI Key

YYTDJPUFAVPHQA-VKHMYHEASA-N

FDA UNII

VJJ37GCZ42

1 2D Structure

DS-3939

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

2.1.2 InChI

InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1

2.1.3 InChI Key

YYTDJPUFAVPHQA-VKHMYHEASA-N

2.1.4 Canonical SMILES

C(C1=C(C(=C(C(=C1F)F)F)F)F)C(C(=O)O)N

2.1.5 Isomeric SMILES

C(C1=C(C(=C(C(=C1F)F)F)F)F)[C@@H](C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

VJJ37GCZ42

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 34702-59-5

2. (s)-2-amino-3-(perfluorophenyl)propanoic Acid

3. L-pentafluorophe

4. 138109-65-6

5. (2s)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic Acid

6. L-pentafluorophenylalanine

7. L-phenylalanine, 2,3,4,5,6-pentafluoro-

8. Pentafluorophenylalanine, L-

9. Vjj37gcz42

10. (2s)-2-azaniumyl-3-(2,3,4,5,6-pentafluorophenyl)propanoate

11. L-2,3,4,5,6-pentafluorophenylalanine

12. D-2,3,4,5,6-pentafluorophenylalanine

13. L-phenylalanine,2,3,4,5,6-pentafluoro-, Hydrochloride (9ci)

14. (s)-2-amino-3-(perfluorophenyl)propanoicacid

15. Unii-vjj37gcz42

16. H-phe(f5)-oh

17. Schembl158168

18. Fluorinated Phenylalanine

19. Dtxsid00375801

20. Mfcd01860881

21. Akos015890220

22. Ac-5835

23. Ds-3939

24. Cs-0158433

25. P2085

26. C74787

27. A822352

28. Q27464395

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₆F₅NO₂
Molecular Weight	255.14 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	63.3
Heavy Atom Count	17
Formal Charge	0
Complexity	277
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