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CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
2 Related Intermediates

Chemistry

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Also known as: 430-99-9, 2-fluoroprop-2-enoic acid, 2-fluoropropenoic acid, Alpha-fluoroacrylic acid, 2-propenoic acid, 2-fluoro-, Unii-bep1a791ci

Molecular Formula

C₃H₃FO₂

Molecular Weight

90.05 g/mol

InChI Key

TYCFGHUTYSLISP-UHFFFAOYSA-N

FDA UNII

BEP1A791CI

1 2D Structure

430-99-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoroprop-2-enoic acid

2.1.2 InChI

InChI=1S/C3H3FO2/c1-2(4)3(5)6/h1H2,(H,5,6)

2.1.3 InChI Key

TYCFGHUTYSLISP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=C(C(=O)O)F

2.2 Other Identifiers

2.2.1 UNII

BEP1A791CI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 430-99-9

2. 2-fluoroprop-2-enoic Acid

3. 2-fluoropropenoic Acid

4. Alpha-fluoroacrylic Acid

5. 2-propenoic Acid, 2-fluoro-

6. Unii-bep1a791ci

7. Bep1a791ci

8. 74893-46-2

9. Mfcd03424474

10. 2-fluoroacrylic Acid, Sodium Salt

11. 2-propenoic Acid, Fluoro-

12. C3h3fo2

13. Fluoroacrylic Acid

14. Dtxsid10902405

15. Tycfghutyslisp-uhfffaoysa-n

16. .alpha.-fluoroacrylic Acid

17. Bcp31987

18. Zca89346

19. Akos006230202

20. Am84938

21. Cs-w005285

22. As-57293

23. Sy021247

24. Ft-0676569

25. 2-fluoroprop-2-enoic Acid;2-fluoroacrylic Acid

26. En300-104748

27. A826153

28. J-509509

29. Q27274622

30. 2-fluoroprop-2-enoic Acid;2-propenoic Acid, 2-fluoro-

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₃H₃FO₂
Molecular Weight	90.05 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	6
Formal Charge	0
Complexity	86.8
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	1