7-(Trifluoromethyl)quinoline

C₁₀H₆F₃NCAS 325-14-4197.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₆F₃N
Molar mass: 197.16 g/mol
Exact mass: 197.0452 Da
Melting point: 66–68 °C
Boiling point: 219–221 °C (at 731 Torr)
logP: 3.25Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 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 4 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

325-14-4

SMILES

FC(F)(F)c1ccc2cccnc2c1

InChIKey

CMMSEFHVUYEEDY-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F3N/c11-10(12,13)8-4-3-7-2-1-5-14-9(7)6-8/h1-6H

Weigh it out

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

Names and synonyms

1 names

Quinoline, 7-(trifluoromethyl)-

Work with 7-(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

4-Amino-7-(trifluoromethyl)quinoline243666-11-750 % similar 4-Chloro-7-(trifluoromethyl)quinoline346-55-450 % similar 7-Bromoquinoline4965-36-050 % similar 7-Aminoquinoline580-19-850 % similar 7-Hydroxyquinoline580-20-150 % similar 7-Methylquinoline612-60-250 % similar 7-Chloroquinoline612-61-350 % similar Quinoline91-22-547 % similar

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

Same formula

2-(Trifluoromethyl)quinoline347-42-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook