5-Fluoro-2-(trifluoromethyl)benzonitrile

C₈H₃F₄NCAS 240800-45-7189.11 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₃F₄N
Molar mass: 189.11 g/mol
Exact mass: 189.0202 Da
logP: 2.72Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

240800-45-7

SMILES

N#Cc1cc(F)ccc1C(F)(F)F

InChIKey

SQAZPEKSXOYPDX-UHFFFAOYSA-N

InChI

InChI=1S/C8H3F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H

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

Names and synonyms

1 names

Benzonitrile, 5-fluoro-2-(trifluoromethyl)-

Work with 5-Fluoro-2-(trifluoromethyl)benzonitrile

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

5-Bromo-2-(trifluoromethyl)benzonitrile1208076-28-162 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-260 % similar 2-(Trifluoromethyl)benzonitrile447-60-958 % similar 2,5-Difluorobenzonitrile64248-64-256 % similar 2-Bromo-5-fluorobenzonitrile57381-39-253 % similar 2-Chloro-5-fluorobenzonitrile57381-56-353 % similar 2,4-Difluorobenzonitrile3939-09-152 % similar 4-(Trifluoromethyl)-3-pyridinecarbonitrile13600-43-650 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-3 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-0

Elsewhere

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