4-(Trifluoromethyl)-2(1H)-quinolinone

C₁₀H₆F₃NOCAS 25199-84-2213.16 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₁₀H₆F₃NO
Molar mass: 213.16 g/mol
Exact mass: 213.0401 Da
Melting point: 246–247 °C
logP: 2.96Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

25199-84-2

SMILES

Oc1cc(C(F)(F)F)c2ccccc2n1

InChIKey

UUROBWTVZZNDFD-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-5H,(H,14,15)

Weigh it out

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

Names and synonyms

5 names

2(1H)-Quinolinone, 4-(trifluoromethyl)-
Carbostyril, 4-(trifluoromethyl)-
2-Hydroxy-4-(trifluoromethyl)quinoline
4-Trifluoromethyl-1H-quinolin-2-one
4-(Trifluoromethyl)quinolin-2-ol

Work with 4-(Trifluoromethyl)-2(1H)-quinolinone

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-(Trifluoromethyl)-2-quinolinecarboxylic acid588702-67-456 % similar 2,4-Dihydroxyquinoline86-95-356 % similar 2-Hydroxy-4-methylquinoline607-66-953 % similar 2-Hydroxycinchoninic acid15733-89-846 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-245 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-943 % similar 2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one26059-81-440 % similar 2-(Trifluoromethyl)phenol444-30-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoroacetyl)indole14618-45-2 8-(Trifluoromethyl)-4-quinolinol23779-96-6 3-(Trifluoromethyl)benzoylacetonitrile27328-86-5 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-4 6-(Trifluoromethyl)-4-quinolinol49713-51-1

Elsewhere

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