8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline

C₁₀H₅F₄NOCAS 31009-31-1231.15 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₀H₅F₄NO
Molar mass: 231.15 g/mol
Exact mass: 231.0307 Da
logP: 2.69Crippen 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 5 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

31009-31-1

SMILES

C1=CC2=C(C(=C1)F)NC(=CC2=O)C(F)(F)F

InChIKey

UQFKMXKVHWMPPC-UHFFFAOYSA-N

InChI

InChI=1S/C10H5F4NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)

Weigh it out

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

Work with 8-Fluoro-4-hydroxy-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

8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-22-471 % similar 8-Bromo-4-hydroxy-2-(trifluoromethyl)quinoline59108-43-969 % similar 6-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline18706-21-350 % similar 8-Fluoro-4-hydroxyquinoline63010-71-950 % similar 2,6-Bis(trifluoromethyl)-4-hydroxyquinoline35877-04-449 % similar 4-Hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)quinoline125647-79-245 % similar 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-140 % similar 5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline59108-13-340 % similar

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

Same formula

6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline31009-34-4 6-Fluoro-4-(trifluoromethyl)-2(1H)-quinolinone328956-08-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook