4-Chloro-2-methyl-7-(trifluoromethyl)quinoline

C₁₁H₇ClF₃NCAS 18529-09-4245.63 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₇ClF₃N
Molar mass: 245.63 g/mol
Exact mass: 245.0219 Da
logP: 4.22Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed90.7% of notifiers
H318 Causes serious eye damage90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

18529-09-4

SMILES

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)Cl

InChIKey

KQXIMYKBHAMAAM-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClF3N/c1-6-4-9(12)8-3-2-7(11(13,14)15)5-10(8)16-6/h2-5H,1H3

Weigh it out

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

Work with 4-Chloro-2-methyl-7-(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-7-(trifluoromethyl)quinoline346-55-457 % similar 4-Chloro-2-methylquinoline4295-06-155 % similar 4-Chloro-6-fluoro-2-methylquinoline18529-01-650 % similar 5-Chloroquinaldine4964-69-649 % similar 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-448 % similar 4-Chloro-6-(trifluoromethyl)quinoline49713-56-647 % similar 3,4-Dichlorobenzotrifluoride328-84-746 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook