2,4,5-Trifluorobenzonitrile

C₇H₂F₃NCAS 98349-22-5157.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₂F₃N
Molar mass: 157.10 g/mol
Exact mass: 157.0139 Da
logP: 1.98Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

98349-22-5

SMILES

N#Cc1cc(F)c(F)cc1F

InChIKey

DLKNOGQOOZFICZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H2F3N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H

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

Names and synonyms

1 names

Benzonitrile, 2,4,5-trifluoro-

Work with 2,4,5-Trifluorobenzonitrile

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

2,5-Difluoro-4-methylbenzonitrile1003708-66-465 % similar 4-Amino-2,5-difluorobenzonitrile112279-61-565 % similar 4-Chloro-2,5-difluorobenzonitrile135748-35-565 % similar 2-Chloro-4,5-difluorobenzonitrile135748-34-462 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-656 % similar 2,4-Difluorobenzonitrile3939-09-156 % similar 2,5-Difluorobenzonitrile64248-64-256 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-955 % similar

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

Same formula

3,4,5-Trifluorobenzonitrile134227-45-5 2,3,6-Trifluorobenzonitrile136514-17-5 2,3,4-Trifluorobenzonitrile143879-80-5

Elsewhere

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