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

C₁₂F₄N₄CAS 29261-33-4276.15 g/mol

Open in Covalent MOL file

Alkene Nitrile Vinyl 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 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.7% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H331 Toxic if inhaled97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

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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