Tetrafluoroterephthalonitrile

C₈F₄N₂CAS 1835-49-0200.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈F₄N₂
Molar mass: 200.10 g/mol
Exact mass: 199.9998 Da
Melting point: 198 °C
logP: 1.99Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1835-49-0

SMILES

N#Cc1c(F)c(F)c(C#N)c(F)c1F

InChIKey

PCRSJGWFEMHHEW-UHFFFAOYSA-N

InChI

InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11

Weigh it out

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

Names and synonyms

13 names · show all

1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-
Terephthalonitrile, tetrafluoro-
2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrile
Diamond 2031
1,4-Dicyanotetrafluorobenzene
2,3,5,6-Tetrafluoroterephthalonitrile
Tetrafluoroterephthalodinitrile
2,3,5,6-Tetrafluoro-1,4-benzodinitrile
1,2,4,5-Tetrafluoro-3,6-dicyanobenzene
NSC 97007
1,4-Dicyano-2,3,5,6-tetrafluorobenzene
2,3,5,6-Tetrafluoro-1,4-dicyanobenzene
2,3,5,6-Tetrafluorophthalonitrile

Work with Tetrafluoroterephthalonitrile

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

Pentafluorobenzonitrile773-82-093 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-070 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-362 % similar 2,6-Difluorobenzonitrile1897-52-543 % similar 3,4,5-Trifluorobenzonitrile134227-45-542 % similar Tetrachloroterephthalonitrile1897-41-240 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-238 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-438 % similar

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

Same formula

3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-0

Elsewhere

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