4-Chloro-2,8-bis(trifluoromethyl)quinoline

C₁₁H₄ClF₆NCAS 83012-13-9299.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₄ClF₆N
Molar mass: 299.60 g/mol
Exact mass: 298.9936 Da
Melting point: 45–46 °C
Boiling point: 148–152 °C (at 18 Torr)
logP: 4.93Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

83012-13-9

SMILES

FC(F)(F)c1cc(Cl)c2cccc(C(F)(F)F)c2n1

InChIKey

ZSQOESPYYNJBCZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H

Weigh it out

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

Names and synonyms

2 names

Quinoline, 4-chloro-2,8-bis(trifluoromethyl)-
2,8-Bis(trifluoromethyl)-4-chloroquinoline

Work with 4-Chloro-2,8-bis(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

2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-968 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-758 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-150 % similar 2-Chlorobenzotrifluoride88-16-450 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-449 % similar 8-Methyl-2-(trifluoromethyl)-4-quinolinol1701-19-548 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-247 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-446 % similar

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

Elsewhere

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