2,4-Difluorophenylacetonitrile

C₈H₅F₂NCAS 656-35-9153.13 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₅F₂N
Molar mass: 153.13 g/mol
Exact mass: 153.0390 Da
logP: 2.03Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

656-35-9

SMILES

N#CCc1ccc(F)cc1F

InChIKey

AGAOESUOSOGZOD-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2

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

Names and synonyms

4 names

Benzeneacetonitrile, 2,4-difluoro-
Acetonitrile, (2,4-difluorophenyl)-
2,4-Difluorobenzeneacetonitrile
2-(2,4-Difluorophenyl)acetonitrile

Work with 2,4-Difluorophenylacetonitrile

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-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-564 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-764 % similar 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-760 % similar 2-Fluorobenzeneacetonitrile326-62-560 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-260 % similar 2,4-Difluorobenzyl bromide23915-07-353 % similar 2,4-Difluorobenzenemethanol56456-47-453 % similar 2,4-Difluorobenzylamine72235-52-053 % similar

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

Same formula

2,5-Difluoro-4-methylbenzonitrile1003708-66-4 3,5-Difluorophenylacetonitrile122376-76-5 2,3-Difluorobenzeneacetonitrile145689-34-5 5,6-Difluoro-1H-indole169674-01-5 4,5-Difluoro-1H-indole247564-63-2 2,6-Difluorobenzeneacetonitrile654-01-3 3,4-Difluorobenzeneacetonitrile658-99-1 2,5-Difluorobenzeneacetonitrile69584-87-8

Elsewhere

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