chempirical

2-Chloro-3,5-bis(trifluoromethyl)benzenamine

C8H4ClF6NCAS 201593-90-0263.57 g/mol

Open in Covalent MOL file
NH2FFFFFFCl
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C8H4ClF6N
Molar mass
263.57 g/mol
Exact mass
262.9936 Da
logP
3.96Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
201593-90-0
SMILES
Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl
InChIKey
JKUFETFGEJPHEM-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2

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

Names and synonyms

2 names
  • Benzenamine, 2-chloro-3,5-bis(trifluoromethyl)-
  • 2-Chloro-3,5-bis(trifluoromethyl)aniline

Work with 2-Chloro-3,5-bis(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

3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-153 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-650 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-648 % similar 2-Chloro-4-trifluoromethylaniline39885-50-246 % similar 2-Trifluoromethyl-4-chloroaniline445-03-446 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-845 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-244 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-843 % similar

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

Elsewhere

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