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Also known as: 849217-48-7, 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylic acid, 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid, Cyclopropanecarboxylic acid, 1-[[(4-fluorophenyl)amino]carbonyl]-, 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic acid, 8p43n3dm5y
Molecular Formula
C11H10FNO3
Molecular Weight
223.20  g/mol
InChI Key
PFMAFXYUHZDKPY-UHFFFAOYSA-N
FDA UNII
8P43N3DM5Y

CAS 849217-48-7
1 2D Structure

CAS 849217-48-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
2.1.3 InChI Key
PFMAFXYUHZDKPY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1(C(=O)NC2=CC=C(C=C2)F)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
8P43N3DM5Y
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 849217-48-7

2. 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylic Acid

3. 1-[(4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic Acid

4. Cyclopropanecarboxylic Acid, 1-[[(4-fluorophenyl)amino]carbonyl]-

5. 1-[(4-fluorophenyl)carbamoyl]cyclopropanecarboxylic Acid

6. 8p43n3dm5y

7. Mfcd11226313

8. 1-(((4-fluorophenyl)amino)carbonyl)cyclopropanecarboxylic Acid

9. Cyclopropanecarboxylic Acid, 1-(((4-fluorophenyl)amino)carbonyl)-

10. 1-(4-fluoro-phenylcarbamoyl)-cyclopropanecarboxylic Acid

11. 1-(4-fluoro-phenylcarbamoyl}-cyclopropanecarboxylic Acid

12. 1-{[(4-fluorophenyl)amino]carbonyl}cyclopropanecarboxylic Acid

13. Intermediate Of Cabozantinib

14. Unii-8p43n3dm5y

15. Schembl105644

16. Amy278

17. 1-((4-fluorophenyl)carbamoyl)cyclopropanecarboxylicacid

18. Dtxsid00610608

19. Bcp15333

20. Zinc21304711

21. Akos008151310

22. Cs-w019220

23. Sb17898

24. Ac-29722

25. Ds-14316

26. Sy047869

27. F1083

28. Ft-0701258

29. En300-58849

30. A848006

31. J-503319

32. ((4-fluorophenyl)carbamoyl)cyclopropanecarboxylic Acid

33. 1-(4-fluorophenylcarbamoyl)-cyclopropanecarboxylic Acid

34. Z1259041011

35. 1-((4-fluorophenyl)carbamoyl) -cyclopropanecarboxylic Acid

36. 1-((4-fluorophenyl)carbamoyl)-cyclopropanecarboxylic Acid

37. 1-((4-fluorophenyl)carbamoyl)cyclopropane Carboxylic Acid

38. 1-(4-fluorophenylaminocarbonyl)cyclopropanecarboxylic Acid

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 223.20 g/mol
Molecular Formula C11H10FNO3
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass223.06447134 g/mol
Monoisotopic Mass223.06447134 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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