3,5-Difluorobenzonitrile

C₇H₃F₂NCAS 64248-63-1139.10 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: 85–86 °C
logP: 1.84Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

64248-63-1

SMILES

N#Cc1cc(F)cc(F)c1

InChIKey

CQXZSEXZQVKCHW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 3,5-difluoro-
3,5-Difluorobenzenenitrile

Work with 3,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Bromo-5-fluorobenzonitrile179898-34-168 % similar 3-Fluorobenzonitrile403-54-363 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-661 % similar B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-161 % similar 5-Fluoro-3-pyridinecarbonitrile696-42-458 % similar 4-Fluorobenzonitrile1194-02-157 % similar 3,4,5-Trifluorobenzonitrile134227-45-552 % similar 1,3,5-Trifluorobenzene372-38-350 % similar

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

Same formula

2,6-Difluorobenzonitrile1897-52-5 2,3-Difluorobenzonitrile21524-39-0 2,4-Difluorobenzonitrile3939-09-1 3,4-Difluorobenzonitrile64248-62-0 2,5-Difluorobenzonitrile64248-64-2

Elsewhere

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