4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline

C10H4ClF4NCAS 59611-55-1249.59 g/mol

Open in Covalent MOL file
FNFFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C10H4ClF4N
Molar mass
249.59 g/mol
Exact mass
248.9968 Da
logP
4.05Crippen 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 3 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
59611-55-1
SMILES
Fc1ccc2nc(C(F)(F)F)cc(Cl)c2c1
InChIKey
BLIVSENQFPJREV-UHFFFAOYSA-N
InChI
InChI=1S/C10H4ClF4N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H

Weigh it out

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

Names and synonyms

2 names
  • Quinoline, 4-chloro-6-fluoro-2-(trifluoromethyl)-
  • 4-Chloro-6-fluoro-2-trifluoromethylquinoline

Work with 4-Chloro-6-fluoro-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-methyl-2-(trifluoromethyl)quinoline1701-26-467 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-667 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-265 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-462 % similar 4-Chloro-6-fluoro-2-methylquinoline18529-01-659 % similar 4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-954 % similar 4-Chloro-6-fluoroquinoline391-77-551 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook