4-Chloro-6-(trifluoromethyl)quinoline

C10H5ClF3NCAS 49713-56-6231.60 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

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook