2-Fluorobenzeneacetonitrile

C₈H₆FNCAS 326-62-5135.14 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₆FN
Molar mass: 135.14 g/mol
Exact mass: 135.0484 Da
Boiling point: 232 °C
logP: 1.89Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

326-62-5

SMILES

N#CCc1ccccc1F

InChIKey

DAVJMKMVLKOQQC-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

10 names

Benzeneacetonitrile, 2-fluoro-
Acetonitrile, (o-fluorophenyl)-
o-Fluorobenzyl cyanide
2-Fluorobenzyl cyanide
(2-Fluorophenyl)acetonitrile
o-Fluorophenylacetonitrile
o-Fluorobenzyl nitrile
NSC 88280
2-Fluorobenzylnitrile
2-(2-Fluorophenyl)acetonitrile

Work with 2-Fluorobenzeneacetonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Difluorobenzeneacetonitrile145689-34-571 % similar 1,2-Benzenediacetonitrile613-73-065 % similar 2,6-Difluorobenzeneacetonitrile654-01-363 % similar 2,4-Difluorophenylacetonitrile656-35-960 % similar 2,5-Difluorobenzeneacetonitrile69584-87-860 % similar 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-556 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-756 % similar (2-Bromophenyl)acetonitrile19472-74-354 % similar

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

Same formula

4-Fluoro-2-methylbenzonitrile147754-12-9 4-Fluoro-3-methylbenzonitrile185147-08-4 7-Fluoro-1H-indole387-44-0 5-Fluoroindole399-52-0 4-Fluorobenzeneacetonitrile459-22-3 3-Fluorobenzeneacetonitrile501-00-8

Elsewhere

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