chempirical

4-(Trifluoromethyl)aniline hydrochloride

C7H7ClF3NCAS 90774-69-9197.59 g/mol

Open in Covalent MOL file
HClH2NFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C7H7ClF3N
Molar mass
197.59 g/mol
Exact mass
197.0219 Da
logP
2.71Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
90774-69-9
SMILES
Cl.Nc1ccc(C(F)(F)F)cc1
InChIKey
CZGDYZDUMJDQSD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, 4-(trifluoromethyl)-, hydrochloride (1:1)
  • Benzenamine, 4-(trifluoromethyl)-, hydrochloride
  • p-(Trifluoromethyl)anilinium chloride
  • p-(Trifluoromethyl)aniline hydrochloride

Work with 4-(Trifluoromethyl)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

4-(Trifluoromethyl)aniline455-14-186 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar 1,4-Diaminobenzene dihydrochloride624-18-057 % similar 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[benzenamine]1095-78-952 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar 3,5-Diaminobenzotrifluoride368-53-650 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-150 % similar 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine]60532-63-050 % similar

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

Elsewhere

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