3,4-Difluorobenzonitrile

C₇H₃F₂NCAS 64248-62-0139.10 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: 51–53 °C
Boiling point: 77 °C (at 20 Torr)
logP: 1.84Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

64248-62-0

SMILES

N#Cc1ccc(F)c(F)c1

InChIKey

BTBFCBQZFMQBNT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 3,4-difluoro-
4-Cyano-1,2-difluorobenzene

Work with 3,4-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

2-Fluoro-1,4-benzenedicarbonitrile1897-53-669 % similar 4-Chloro-3-fluorobenzonitrile110888-15-864 % similar 3-Chloro-4-fluorobenzonitrile117482-84-564 % similar 4-Bromo-3-fluorobenzonitrile133059-44-664 % similar 4-Fluoro-3-methylbenzonitrile185147-08-464 % similar 4-Cyano-2-fluorophenol405-04-964 % similar 4-Amino-3-fluorobenzonitrile63069-50-164 % similar 3-Bromo-4-fluorobenzonitrile79630-23-264 % 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 3,5-Difluorobenzonitrile64248-63-1 2,5-Difluorobenzonitrile64248-64-2

Elsewhere

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