8-(Trifluoromethyl)-4-quinolinol

C₁₀H₆F₃NOCAS 23779-96-6213.16 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
logP: 2.96Crippen 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 irritation97.8% of notifiers

Aggregated from 45 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

23779-96-6

SMILES

Oc1ccnc2c(C(F)(F)F)cccc12

InChIKey

UDRWADJLLWWJOE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

4-Quinolinol, 8-(trifluoromethyl)-
8-(Trifluoromethyl)quinolin-4-ol

Work with 8-(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

4-Chloro-8-(trifluoromethyl)quinoline23779-97-764 % similar 4-Amino-8-(trifluoromethyl)quinoline243977-15-362 % similar 2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-961 % similar 2-(Trifluoromethyl)phenol444-30-447 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-146 % similar 2-Fluoro-3-(trifluoromethyl)phenol207291-85-846 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-945 % similar 8-Methyl-2-(trifluoromethyl)-4-quinolinol1701-19-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoroacetyl)indole14618-45-2 4-(Trifluoromethyl)-2(1H)-quinolinone25199-84-2 3-(Trifluoromethyl)benzoylacetonitrile27328-86-5 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-4 6-(Trifluoromethyl)-4-quinolinol49713-51-1

Elsewhere

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