2-Fluoro-4-(trifluoromethyl)pyridine

C₆H₃F₄NCAS 118078-66-3165.09 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

H226 Flammable liquid and vapor93.2% of notifiers
H301 Toxic if swallowed93.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.3% of notifiers

Aggregated from 74 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

118078-66-3

SMILES

C1=CN=C(C=C1C(F)(F)F)F

InChIKey

DFNQBXZKPUBEIX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-4-trifluoromethyl-pyridine

Work with 2-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

4,4'-Bis(trifluoromethyl)-2,2'-bipyridine142946-79-063 % similar 2-Hydroxy-4-(trifluoromethyl)pyridine50650-59-462 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-657 % similar 2-Bromo-4-(trifluoromethyl)pyridine175205-81-957 % similar 2-Chloro-4-(trifluoromethyl)pyridine81565-18-657 % similar 4-(Trifluoromethyl)pyridine-2-carboxylic acid588702-62-951 % similar 2,4-Difluoropyridine34941-90-750 % similar 4-(Trifluoromethyl)pyridine3796-24-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-(trifluoromethyl)pyridine113770-87-9 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

PubChem CAS Common Chemistry NIST WebBook