4-Chloro-2-(trifluoromethyl)quinoline

C10H5ClF3NCAS 1701-24-2231.60 g/mol

Open in Covalent MOL file
NFFFCl
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1701-24-2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)Cl
InChIKey
ONNDFDQMHCNEGF-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H

Weigh it out

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

Work with 4-Chloro-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

4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-968 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-165 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-463 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-663 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-962 % similar 2,4-Dichloroquinoline703-61-761 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-459 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-8-(trifluoromethyl)quinoline23779-97-7 4-Chloro-7-(trifluoromethyl)quinoline346-55-4 4-Chloro-6-(trifluoromethyl)quinoline49713-56-6

Elsewhere

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