chempirical

4,5,7-Trichloro-2-(trifluoromethyl)quinoline

C10H3Cl3F3NCAS 175203-41-5300.49 g/mol

Open in Covalent MOL file
FFFClClClN
Alkyl halideAryl halide

Properties

Molecular formula
C10H3Cl3F3N
Molar mass
300.49 g/mol
Exact mass
298.9283 Da
logP
5.21Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
175203-41-5
SMILES
FC(F)(F)c1cc(Cl)c2c(Cl)cc(Cl)cc2n1
InChIKey
LJFUUVXYSQLASW-UHFFFAOYSA-N
InChI
InChI=1S/C10H3Cl3F3N/c11-4-1-5(12)9-6(13)3-8(10(14,15)16)17-7(9)2-4/h1-3H

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Names and synonyms

2 names
  • Quinoline, 4,5,7-trichloro-2-(trifluoromethyl)-
  • 4,5,7-Trichloro-2-trifluoromethylquinoline

Work with 4,5,7-Trichloro-2-(trifluoromethyl)quinoline

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-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-150 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-449 % similar 7-Chloro-2-(trifluoromethyl)-4-quinolinol57124-20-649 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-445 % similar 4-Chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline175203-61-945 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-944 % similar 2,4-Dichlorobenzotrifluoride320-60-542 % similar 2-Trifluoromethyl-4-chloropyridine131748-14-641 % similar

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

Elsewhere

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