Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 3874-54-2, 4-chloro-1-(4-fluorophenyl)butan-1-one, 3-(4-fluorobenzoyl)propyl chloride, 3-chloropropyl 4-fluorophenyl ketone, 4'-fluoro-4-chlorobutyrophenone, 4-fluorobenzoylpropyl chloride
Molecular Formula
C10H10ClFO
Molecular Weight
200.64  g/mol
InChI Key
HXAOUYGZEOZTJO-UHFFFAOYSA-N
FDA UNII
FVL03C7JRR

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-1-(4-fluorophenyl)butan-1-one
2.1.2 InChI
InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
2.1.3 InChI Key
HXAOUYGZEOZTJO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=O)CCCCl)F
2.2 Other Identifiers
2.2.1 UNII
FVL03C7JRR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3874-54-2

2. 4-chloro-1-(4-fluorophenyl)butan-1-one

3. 3-(4-fluorobenzoyl)propyl Chloride

4. 3-chloropropyl 4-fluorophenyl Ketone

5. 4'-fluoro-4-chlorobutyrophenone

6. 4-fluorobenzoylpropyl Chloride

7. 4-chloro-p-fluorobutyrophenone

8. 4-chloro-4-fluorobutyrophenone

9. 1-butanone, 4-chloro-1-(4-fluorophenyl)-

10. P-fluorobenzoylpropyl Chloride

11. Butyrophenone, 4-chloro-4'-fluoro-

12. P-fluoro-4-chlorobutyrophenone

13. 3-chloro-4'-fluorobutyrophenone

14. Gamma-chloro-p-fluorobutyrophenone

15. 3-(p-fluorobenzoyl)propyl Chloride

16. Mfcd00001007

17. 3-chloropropyl 4'-fluorophenyl Ketone

18. 4-(p-fluorophenyl)-4-oxobutyl Chloride

19. 4-(4-fluorophenyl)-4-oxobutyl Chloride

20. .gamma.-chloro-p-fluorobutyrophenone

21. Nsc 87082

22. Fvl03c7jrr

23. 4-chloro-1-(4-fluorophenyl)-1-butanone

24. 4-chloro-1-(4-fluorophenyl)-1-oxobutane

25. Dtxsid3057729

26. .gamma.-chloro-4-fluorobutyrophenone

27. .omega.-chloro-p-fluorobutyrophenone

28. P-fluoro-.gamma.-chlorobutyrophenone

29. P-fluoro-.omega.-chlorobutyrophenone

30. Nsc-87082

31. Unii-fvl03c7jrr

32. Gamma-chloro-p-fluorobutyrophene

33. P-fluoro-gamma-chlorobutyrophenone

34. Gamma-chloro-4-fluorobutyrophenone

35. Einecs 223-395-3

36. Dsstox_cid_31518

37. Dsstox_rid_97403

38. Nciopen2_005403

39. Dsstox_gsid_57729

40. Schembl318467

41. 4-chlor-4'-fluor-butyrophenon

42. 4-chloro-4'-flurobutyrophenone

43. 4-chloro-4'-flourobutyrophenone

44. Chembl3561872

45. Hxaouygzeoztjo-uhfffaoysa-

46. 4-chloro-4' -fluorobutyrophenone

47. 4-chloro-4'-fluoro-butyrophenone

48. .gamma.-chloro-p-fluorobutyrophene

49. Omega-chloro-4-fluorobutyrophenone

50. P-fluoro-gamma-chloro Butyrophenone

51. Amy25665

52. Nsc87082

53. Zinc1561635

54. Tox21_113749

55. .omega.-chloro-4-fluorobutyrophenone

56. Bbl009718

57. Stl141083

58. 1-chloro-3-(4-fluorobenzoyl)propane

59. Akos000120240

60. Gamma-(p-fluorobenzoyl)propyl Chloride

61. 1-chloro-3-(4-fluorobenzoyl)-propane

62. Cs-w009108

63. 4-chloro-4'-fluorobutyrophenone, 97%

64. 4-oxo-4-(4-fluorophenyl)butyl Chloride

65. Ncgc00253619-01

66. 4-chloro-4'-fluorobutyrophenone;4-chloro-1-(4-fluorophenyl)butan-1-one;1-butanone, 4-chloro-1-(4-fluorophenyl)-;butyrophenone, 4-chloro-4'-fluoro-;4-chloro-4'-fluorobutyrophenone 4-chloro-1-(4-fluorophenyl)butan-1-one 1-butanone, 4-chloro-1-(4-fluorophenyl)- Butyrophenone, 4-chloro-4'-fluoro-

67. Ac-10958

68. Sy016889

69. 1-utanone, 4-hloro-1-(4-luorophenyl)-

70. Cas-3874-54-2

71. 1-chloro-3-(p-fluorophenylcarbonyl)propane

72. Db-049325

73. 4-chloro-1-(4-fluoro-phenyl)-butan-1-one

74. 4-chloro-1-(4-fluorophenyl)-1-butanone #

75. Ft-0618100

76. D78020

77. 1-chloro-4-(4-fluorophenyl)-4-oxobutane

78. A824266

79. Sr-01000944706

80. 3-(4-fluorophenylcarbonyl)-1-chloropropane

81. Q-200454

82. Sr-01000944706-1

83. Q27278227

84. 4-chloro-4 Inverted Exclamation Mark -fluorobutyrophenone

85. 4-chloro-1-(4-fluorophenyl)butan-1-one;4-chloro-4'-fluorobutyrophenone

86. 54839-20-2

87. N-[n,o-isopropylidene-(2r)-hydroxyindan-(1s)-yl]-(2r)-benzyl-(4s,5)-epoxypentanamide

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 200.64 g/mol
Molecular Formula C10H10ClFO
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass200.0404208 g/mol
Monoisotopic Mass200.0404208 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1