4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline

C₁₁H₅F₆NO₂CAS 125647-79-2297.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₁H₅F₆NO₂
Molar mass: 297.16 g/mol
Exact mass: 297.0224 Da
logP: 3.45Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

125647-79-2

SMILES

C1=CC2=C(C=C1OC(F)(F)F)C(=O)C=C(N2)C(F)(F)F

InChIKey

FOSLEIYRFCRULX-UHFFFAOYSA-N

InChI

InChI=1S/C11H5F6NO2/c12-10(13,14)9-4-8(19)6-3-5(20-11(15,16)17)1-2-7(6)18-9/h1-4H,(H,18,19)

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Names and synonyms

1 names

6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one

Work with 4-Hydroxy-6-(trifluoromethoxy)-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

6-(Trifluoromethoxy)-4-quinolinol175203-87-960 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-843 % similar Riluzole1744-22-543 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-440 % similar Ethyl 4-hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylate175203-85-740 % similar 6-Fluoro-2-methyl-4-quinolinol15912-68-238 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-138 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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