chempirical

1-(4-Aminophenyl)-2,2,2-trifluoroethanone

C8H6F3NOCAS 23516-79-2189.14 g/mol

Open in Covalent MOL file
H2NOFFF
Alkyl halideKetonePrimary amine

Properties

Molecular formula
C8H6F3NO
Molar mass
189.14 g/mol
Exact mass
189.0401 Da
Melting point
87 °C
logP
2.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
23516-79-2
SMILES
Nc1ccc(C(=O)C(F)(F)F)cc1
InChIKey
GHGLSQSKVJUUNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H,12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Ethanone, 1-(4-aminophenyl)-2,2,2-trifluoro-
  • Acetophenone, 4′-amino-2,2,2-trifluoro-
  • 4′-Amino-2,2,2-trifluoroacetophenone
  • p-(Trifluoroacetyl)aniline
  • 4-Trifluoroacetylaniline
  • 4-Aminophenyl trifluoromethyl ketone
  • 1-(4-Aminophenyl)-2,2,2-trifluoroethan-1-one
  • 1-(4-Aminophenyl)-2,2,2-trifluoro-1-ethanone

Work with 1-(4-Aminophenyl)-2,2,2-trifluoroethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-362 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-761 % similar 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-760 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-960 % similar 4,4′-Diaminobenzophenone611-98-350 % similar 4-Aminobenzamide2835-68-948 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-547 % similar 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Trifluoromethyl)benzamide1801-10-1 4-(Trifluoromethyl)benzamide1891-90-3 2-(Trifluoromethyl)benzamide360-64-5 2,2,2-Trifluoro-N-phenylacetamide404-24-0

Elsewhere

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