8-Methyl-2-(trifluoromethyl)-4-quinolinol

C₁₁H₈F₃NOCAS 1701-19-5227.19 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₁₁H₈F₃NO
Molar mass: 227.19 g/mol
Exact mass: 227.0558 Da
Melting point: 130–132 °C
logP: 3.27Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed90.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1701-19-5

SMILES

Cc1cccc2c(O)cc(C(F)(F)F)nc12

InChIKey

HLPDICBGZTVELB-UHFFFAOYSA-N

InChI

InChI=1S/C11H8F3NO/c1-6-3-2-4-7-8(16)5-9(11(12,13)14)15-10(6)7/h2-5H,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

1 names

4-Quinolinol, 8-methyl-2-(trifluoromethyl)-

Work with 8-Methyl-2-(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

2,8-Bis(trifluoromethyl)-4-hydroxyquinoline35853-41-971 % similar 7-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline57124-20-649 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-948 % similar 4,8-Dichloro-2-(trifluoromethyl)quinoline18706-35-948 % similar 6-Bromo-2-(trifluoromethyl)-4-quinolinol1701-22-046 % similar 8-(Trifluoromethyl)-4-quinolinol23779-96-642 % similar 4-Chloro-2,8-dimethylquinoline32314-39-941 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Methyl-2-(trifluoromethyl)-4-quinolinol1701-20-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook