chempirical

3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine

C7H6ClF3N2CAS 132915-80-1210.58 g/mol

Open in Covalent MOL file
NH2FFFClH2N
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H6ClF3N2
Molar mass
210.58 g/mol
Exact mass
210.0172 Da
logP
2.52Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
132915-80-1
SMILES
Nc1cc(C(F)(F)F)cc(Cl)c1N
InChIKey
NVNLHLRVSHJKBN-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2

Weigh it out

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

Names and synonyms

6 names
  • 1,2-Benzenediamine, 3-chloro-5-(trifluoromethyl)-
  • 3-Chloro-5-trifluoromethyl-1,2-phenylenediamine
  • 1,2-Diamino-3-chloro-5-(trifluoromethyl)benzene
  • 3-Chloro-5-trifluoromethyl-1,2-diaminobenzene
  • 3-Chloro-4,5-diaminobenzotrifluoride
  • 3-Chloro-5-(trifluoromethyl)benzene-1,2-diamine

Work with 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine

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

2,6-Dichloro-4-trifluoromethylaniline24279-39-878 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-864 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-659 % similar 2-Chloro-4-trifluoromethylaniline39885-50-259 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-258 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-653 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-953 % similar 2-Chloro-3,5-bis(trifluoromethyl)benzenamine201593-90-053 % similar

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

Elsewhere

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