3-Chloro-5-(trifluoromethyl)benzenamine

C₇H₅ClF₃NCAS 69411-05-8195.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅ClF₃N
Molar mass: 195.57 g/mol
Exact mass: 195.0063 Da
logP: 2.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

69411-05-8

SMILES

Nc1cc(Cl)cc(C(F)(F)F)c1

InChIKey

OVENUGPMQDFGLE-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

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

Names and synonyms

3 names

Benzenamine, 3-chloro-5-(trifluoromethyl)-
3-Chloro-5-trifluoromethylaniline
1-Amino-3-chloro-5-trifluoromethylbenzene

Work with 3-Chloro-5-(trifluoromethyl)benzenamine

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

1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-368 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-568 % similar 3,5-Diaminobenzotrifluoride368-53-668 % similar 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-568 % similar 3-Fluoro-5-trifluoromethylaniline454-67-157 % similar 3,5-Diaminochlorobenzene33786-89-956 % similar 3,5-Dichloroaniline626-43-756 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-355 % 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-4-trifluoromethylaniline39885-50-2 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

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