2,6-Difluorobenzonitrile

C₇H₃F₂NCAS 1897-52-5139.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃F₂N
Molar mass: 139.10 g/mol
Exact mass: 139.0234 Da
Melting point: 31 °C
Boiling point: 99 °C
logP: 1.84Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1897-52-5

SMILES

N#Cc1c(F)cccc1F

InChIKey

BNBRIFIJRKJGEI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 2,6-difluoro-

Work with 2,6-Difluorobenzonitrile

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

3-Fluoro-1,2-benzenedicarbonitrile65610-13-175 % similar 2-Chloro-6-fluorobenzonitrile668-45-172 % similar 2-Cyano-3-fluorophenol140675-43-069 % similar 2-Amino-6-fluorobenzonitrile77326-36-469 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-364 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-762 % similar 2-Fluorobenzonitrile394-47-858 % similar 2-Chloro-3-fluorobenzonitrile874781-08-554 % similar

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

Same formula

2,3-Difluorobenzonitrile21524-39-0 2,4-Difluorobenzonitrile3939-09-1 3,4-Difluorobenzonitrile64248-62-0 3,5-Difluorobenzonitrile64248-63-1 2,5-Difluorobenzonitrile64248-64-2

Elsewhere

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