2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile

C₉H₃F₃N₂OCAS 175278-16-7212.13 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitrile

Properties

Molecular formula: C₉H₃F₃N₂O
Molar mass: 212.13 g/mol
Exact mass: 212.0197 Da
logP: 2.33Crippen estimate
Polar surface area: 56.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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

Weigh it out

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

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 2-Fluoro-1,4-benzenedicarbonitrile1897-53-649 % similar 1,3-Benzodioxole-5-carbonitrile4421-09-443 % similar 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-543 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-243 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook