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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

2,6-Bis(trifluoromethyl)-4-hydroxyquinoline35877-04-465 % similar 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-463 % similar 6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-21-362 % similar 6-(Trifluoromethoxy)-4-quinolinol175203-87-960 % similar 8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-22-446 % similar 8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-31-145 % similar 8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-945 % similar 5-(Trifluoromethoxy)indole-2-carboxylic acid175203-84-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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