chempirical

2-Chloro-4-trifluoromethylaniline

C7H5ClF3NCAS 39885-50-2195.57 g/mol

Open in Covalent MOL file
H2NFFFCl
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5ClF3N
Molar mass
195.57 g/mol
Exact mass
195.0063 Da
Boiling point
89 °C (at 0.5 Torr)
logP
2.94Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
39885-50-2
SMILES
Nc1ccc(C(F)(F)F)cc1Cl
InChIKey
MBBUTABXEITVNY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2

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

Names and synonyms

4 names
  • Benzenamine, 2-chloro-4-(trifluoromethyl)-
  • 2-Chloro-4-(trifluoromethyl)benzenamine
  • 2-Chloro-α,α,α-trifluoro-p-toluidine
  • 2-Chloro-4-trifluoromethylphenylamine

Work with 2-Chloro-4-trifluoromethylaniline

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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-159 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 3,3'-Dichlorobenzidine91-94-157 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-857 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-056 % similar 2-Bromo-4-trifluoromethylaniline57946-63-156 % similar 4,4′-(9H-Fluoren-9-ylidene)bis[2-chlorobenzenamine]107934-68-953 % similar

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

Same formula

2-Chloro-5-(trifluoromethyl)aniline121-50-6 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-4 4-Chloro-3-(trifluoromethyl)aniline320-51-4 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-9 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-8

Elsewhere

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