2-Fluoro-3-(trifluoromethyl)pyridine

C₆H₃F₄NCAS 65753-52-8165.09 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

H301+H311 Toxic if swallowed or in contact with skin50% of notifiers
H301 Toxic if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

65753-52-8

SMILES

C1=CC(=C(N=C1)F)C(F)(F)F

InChIKey

UTAQOVYPSZIDTK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-3-trifluoromethylpyridine

Work with 2-Fluoro-3-(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

2-Amino-3-(trifluoromethyl)pyridine183610-70-062 % similar 2,3-Bis(trifluoromethyl)pyridine1644-68-461 % similar 2-Bromo-3-(trifluoromethyl)pyridine175205-82-057 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-157 % similar 2-Methoxy-3-(trifluoromethyl)pyridine121643-44-556 % similar 3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-156 % similar 2-(2-Fluoropyridin-3-YL)propan-2-OL40247-48-156 % similar 2-Hydrazinyl-3-(trifluoromethyl)pyridine89570-83-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-(trifluoromethyl)pyridine113770-87-9 2-Fluoro-4-(trifluoromethyl)pyridine118078-66-3 2,3,4,6-Tetrafluorobenzenamine363-73-5 2,3,4,5-Tetrafluoroaniline5580-80-3 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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