2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile

C9H3F3N2OCAS 175278-16-7212.13 g/mol

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NNOFFF
Alkyl halideEtherNitrile

Properties

Molecular formula
C9H3F3N2O
Molar mass
212.13 g/mol
Exact mass
212.0197 Da
logP
2.33Crippen estimate
Polar surface area
56.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
175278-16-7
SMILES
N#Cc1ccc(C#N)c(OC(F)(F)F)c1
InChIKey
SIJNPBWOOSQUOS-UHFFFAOYSA-N
InChI
InChI=1S/C9H3F3N2O/c10-9(11,12)15-8-3-6(4-13)1-2-7(8)5-14/h1-3H

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Names and synonyms

4 names
  • 1,4-Benzenedicarbonitrile, 2-(trifluoromethoxy)-
  • 1,4-Dicyano-2-(trifluoromethoxy)benzene
  • 2-(Trifluoromethoxy)terephthalonitril
  • 2-(Trifluoromethoxy)terephthalonitrile

Work with 2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile

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

4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-667 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-464 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-862 % similar 4-(Trifluoromethoxy)benzonitrile332-25-256 % similar 3-(Trifluoromethoxy)benzonitrile52771-22-954 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-649 % similar 3,4-Dimethoxybenzonitrile2024-83-144 % similar Benzo-1,3-dioxole-5-carbonitrile4421-09-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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