4-Chloro-6-(trifluoromethyl)quinoline

C₁₀H₅ClF₃NCAS 49713-56-6231.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀H₅ClF₃N
Molar mass: 231.60 g/mol
Exact mass: 231.0063 Da
logP: 3.91Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

49713-56-6

SMILES

C1=CC2=NC=CC(=C2C=C1C(F)(F)F)Cl

InChIKey

FTNQANJWBFKPIP-UHFFFAOYSA-N

InChI

InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H

Weigh it out

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

Work with 4-Chloro-6-(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-fluoroquinoline391-77-558 % similar 4,6-Dichloroquinoline4203-18-357 % similar 4-Chloro-6-methylquinoline18436-71-054 % similar 6-Bromo-4-chloroquinoline65340-70-754 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-750 % similar 3,4-Dichlorobenzotrifluoride328-84-750 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-650 % similar 4-Chloroquinoline611-35-849 % similar

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

Same formula

4-Chloro-2-(trifluoromethyl)quinoline1701-24-2 4-Chloro-8-(trifluoromethyl)quinoline23779-97-7 4-Chloro-7-(trifluoromethyl)quinoline346-55-4

Elsewhere

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