chempirical

2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

C12F4N4CAS 29261-33-4276.15 g/mol

Open in Covalent MOL file
NNNFFFFN
AlkeneNitrileVinyl halide

Properties

Molecular formula
C12F4N4
Molar mass
276.15 g/mol
Exact mass
276.0059 Da
logP
2.99Crippen estimate
Polar surface area
95.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
29261-33-4
SMILES
C(#N)C(=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F)C#N
InChIKey
IXHWGNYCZPISET-UHFFFAOYSA-N
InChI
InChI=1S/C12F4N4/c13-9-7(5(1-17)2-18)10(14)12(16)8(11(9)15)6(3-19)4-20

Weigh it out

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

Work with 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

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

Tetracyanoethylene670-54-247 % similar Isopropylidenemalononitrile13166-10-436 % similar Tetracyanoquinodimethane1518-16-736 % similar 2-(Dicyanomethylene)-1,3-indandione16954-74-834 % similar 2-[Di(methylthio)methylidene]malononitrile5147-80-832 % similar 2-(1,3-Dioxolan-2-ylidene)propanedinitrile5694-65-532 % similar

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

Elsewhere

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