3-Fluoro-4-(trifluoromethyl)pyridine

C₆H₃F₄NCAS 113770-87-9165.09 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₆H₃F₄N
Molar mass: 165.09 g/mol
Exact mass: 165.0202 Da
logP: 2.24Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor88.9% of notifiers
H300 Fatal if swallowed88.9% of notifiers
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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

113770-87-9

SMILES

C1=CN=CC(=C1C(F)(F)F)F

InChIKey

AXHLDFPTUFGBRL-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F4N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H

Weigh it out

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

Work with 3-Fluoro-4-(trifluoromethyl)pyridine

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

3-Amino-4-(trifluoromethyl)pyridine175204-80-557 % similar 3-Chloro-4-(trifluoromethyl)pyridine81565-19-757 % similar 3-Bromo-4-(trifluoromethyl)pyridine936841-70-257 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-652 % similar 2-Fluorobenzotrifluoride392-85-850 % similar 4-Trifluoromethylnicotinamide158062-71-647 % similar 4-(Trifluoromethyl)nicotinic acid158063-66-247 % similar 4-Chloro-3-(trifluoromethyl)pyridine hydrochloride732306-24-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-4-(trifluoromethyl)pyridine118078-66-3 2,3,4,6-Tetrafluorobenzenamine363-73-5 2,3,4,5-Tetrafluoroaniline5580-80-3 2-Fluoro-3-(trifluoromethyl)pyridine65753-52-8 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-5 2,3,5,6-Tetrafluorobenzenamine700-17-4 3-Fluoro-2-(trifluoromethyl)pyridine886510-21-0 2-Fluoro-6-(trifluoromethyl)pyridine94239-04-0

Elsewhere

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