2,6-Bis(trifluoromethyl)-4-hydroxyquinoline

C₁₁H₅F₆NOCAS 35877-04-4281.16 g/mol

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Properties

Molecular formula: C₁₁H₅F₆NO
Molar mass: 281.16 g/mol
Exact mass: 281.0275 Da
logP: 3.57Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
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 the 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

35877-04-4

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)C=C(N2)C(F)(F)F

InChIKey

AOGNHURBEDTPIZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)

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Names and synonyms

1 names

2,6-Bis(trifluoromethyl)quinolin-4(1H)-one

Work with 2,6-Bis(trifluoromethyl)-4-hydroxyquinoline

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-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-470 % similar 6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-21-368 % similar 4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline125647-79-265 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-161 % similar 8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-22-450 % similar 8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-31-149 % similar 8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-949 % similar 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-449 % similar

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

Same formula

2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook