6-Methyl-2-(trifluoromethyl)-4-quinolinol

C₁₁H₈F₃NOCAS 1701-20-8227.19 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₁₁H₈F₃NO
Molar mass: 227.19 g/mol
Exact mass: 227.0558 Da
Melting point: 251–252 °C
logP: 3.27Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

1701-20-8

SMILES

Cc1ccc2nc(C(F)(F)F)cc(O)c2c1

InChIKey

UNVMZLUVACVTDT-UHFFFAOYSA-N

InChI

InChI=1S/C11H8F3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

1 names

4-Quinolinol, 6-methyl-2-(trifluoromethyl)-

Work with 6-Methyl-2-(trifluoromethyl)-4-quinolinol

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

6-Bromo-2-(trifluoromethyl)-4-quinolinol1701-22-065 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-465 % similar 7-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline57124-20-653 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-949 % similar 4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-141 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-241 % similar 6-Bromo-4-chloro-2-(trifluoromethyl)quinoline1701-28-640 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Methyl-2-(trifluoromethyl)-4-quinolinol1701-19-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook