2,3-Difluoro-6-(trifluoromethyl)benzonitrile

C₈H₂F₅NCAS 186517-05-5207.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₂F₅N
Molar mass: 207.10 g/mol
Exact mass: 207.0107 Da
logP: 2.86Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

186517-05-5

SMILES

C1=CC(=C(C(=C1C(F)(F)F)C#N)F)F

InChIKey

QODCSKFZMRDUMK-UHFFFAOYSA-N

InChI

InChI=1S/C8H2F5N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H

Weigh it out

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

Work with 2,3-Difluoro-6-(trifluoromethyl)benzonitrile

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-6-(trifluoromethyl)benzonitrile133116-83-362 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-749 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-547 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-144 % similar 2-(Trifluoromethyl)benzonitrile447-60-943 % similar 2,6-Difluorobenzonitrile1897-52-542 % similar 2-Fluorobenzotrifluoride392-85-842 % similar 2,3-Difluorobenzonitrile21524-39-042 % similar

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

Same formula

2,3,4,5,6-Pentafluorobenzeneacetonitrile653-30-5

Elsewhere

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