2,5-Difluorobenzeneacetonitrile

C₈H₅F₂NCAS 69584-87-8153.13 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

69584-87-8

SMILES

N#CCc1cc(F)ccc1F

InChIKey

UIMMFRUOZOWROM-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F2N/c9-7-1-2-8(10)6(5-7)3-4-11/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, 2,5-difluoro-
(2,5-Difluorophenyl)acetonitrile
2,5-Difluorobenzyl cyanide
2-(2,5-Difluorophenyl)acetonitrile

Work with 2,5-Difluorobenzeneacetonitrile

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-Fluorobenzeneacetonitrile326-62-560 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-256 % similar 2,5-Difluorobenzenemethanol75853-20-253 % similar 2,5-Difluorobenzyl bromide85117-99-353 % similar 2,5-Difluorobenzenemethanamine85118-06-553 % similar 6-Fluoro-1H-indole-3-acetonitrile2341-25-553 % similar 4-Fluorobenzeneacetonitrile459-22-352 % similar 3-Fluorobenzeneacetonitrile501-00-852 % 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 2,4-Difluorophenylacetonitrile656-35-9 3,4-Difluorobenzeneacetonitrile658-99-1

Elsewhere

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