chempirical

4-Chloro-2-(trifluoroacetyl)aniline hydrochloride

C8H6Cl2F3NOCAS 173676-59-0260.04 g/mol

Open in Covalent MOL file
HClH2NClOFFF
Alkyl halideAryl halideKetonePrimary amine

Properties

Molecular formula
C8H6Cl2F3NO
Molar mass
260.04 g/mol
Exact mass
258.9779 Da
logP
3.09Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
173676-59-0
SMILES
Cl.Nc1ccc(Cl)cc1C(=O)C(F)(F)F
InChIKey
PNLSPSLPBVQWAB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF3NO.ClH/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;/h1-3H,13H2;1H

Weigh it out

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

Names and synonyms

3 names
  • Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1)
  • Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride
  • 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride

Work with 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride

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-Amino-5-chlorobenzoic acid635-21-251 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-949 % similar 2-Amino-5-chloro-2′-fluorobenzophenone784-38-348 % similar Methyl 2-amino-5-chlorobenzoate5202-89-148 % similar 2-Amino-5-chlorobenzophenone719-59-548 % similar 2-Amino-2′,5-dichlorobenzophenone2958-36-347 % similar 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-245 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-345 % similar

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

Elsewhere

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