348-54-9

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CHEMISTRY

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Chemistry

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Also known as: 348-54-9, O-fluoroaniline, 1-amino-2-fluorobenzene, Benzenamine, 2-fluoro-, 2-fluorobenzenamine, 2-fluoro-phenylamine

Molecular Formula

C₆H₆FN

Molecular Weight

111.12 g/mol

InChI Key

FTZQXOJYPFINKJ-UHFFFAOYSA-N

FDA UNII

SE32ZK6617

1 2D Structure

348-54-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoroaniline

2.1.2 InChI

InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

2.1.3 InChI Key

FTZQXOJYPFINKJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)N)F

2.2 Other Identifiers

2.2.1 UNII

SE32ZK6617

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-fluoroaniline Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 348-54-9

2. O-fluoroaniline

3. 1-amino-2-fluorobenzene

4. Benzenamine, 2-fluoro-

5. 2-fluorobenzenamine

6. 2-fluoro-phenylamine

7. Aniline, O-fluoro-

8. 2-fluoro-benzenamine

9. 2-fluorophenylamine

10. O-aminofluorobenzene

11. Mfcd00007642

12. Chembl195328

13. Chebi:27526

14. Se32zk6617

15. Benzenamine, 2-fluoro-, Homopolymer

16. Nsc-10299

17. Fluoroaniline-2

18. 99624-00-7

19. 2fluoroaniline

20. 2-flouroaniline

21. 2-fluoro Aniline

22. 2-fluoro-aniline

23. 1lgw

24. 2-fluoroaniline-

25. Ortho-fluoroaniline

26. 2-fluorobenzeneamine

27. Einecs 206-478-9

28. Nsc 10299

29. 2-fluorobenzenaminium

30. Aniline, 2-fluoro-

31. (2-fluorophenyl)amine

32. 1,2-fluorobenzenamine

33. (2-fluorophenyl)-amine

34. Ai3-52644

35. Bmse000724

36. 2-fluoroaniline, >=99%

37. Schembl33295

38. Bidd:gt0093

39. Unii-se32zk6617

40. Dtxsid8059843

41. Zinc157599

42. Act00088

43. Cs-m2715

44. Nsc10299

45. Str00771

46. Bdbm50167958

47. Stk802386

48. Akos000118879

49. Am61468

50. Ccg-302491

51. Db02403

52. Un 2941

53. 1an

54. Db-028080

55. A6120

56. F0032

57. Ft-0612404

58. J-509510

59. O-fluoroaniline [un2941] [keep Away From Food]

60. Q27093404

61. F2190-0425

62. Z1245633217

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₆FN
Molecular Weight	111.12 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	111.048427358 g/mol
Monoisotopic Mass	111.048427358 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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