CAS 29261-33-4|2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile|2,3,5,6-Tetrafluorotetracyanoquinodimethane|2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyc...

General Information

Structure

Molecular Formula

C₁₂F₄N₄

Molecular Mass

276.1488128

Exact Mass

276.0059089

Charge

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

InChIKey

IXHWGNYCZPISET-UHFFFAOYSA-N

Canonic Smiles

N#CC(=c1c(F)c(F)c(=C(C#N)C#N)c(c1F)F)C#N

Isomeric Smiles

C(=c1c(c(c(=C(C#N)C#N)c(c1F)F)F)F)(C#N)C#N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.15077825

LogD (pH = 7.4)

-0.15077825

Log P

-0.15077825

Molar Refractivity

61.6996

Polarizability

19.95374

Polar Surface Area

95.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile

Synonyms

2,3,5,6-Tetrafluorotetracyanoquinodimethane2,2'-(2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-diylidene)dipropane-1,3-dinitrile2,3,5,6-Tetrafluorotetracyanoquinodimethane 98+%(2,3,5,6-四氟-2,5-环己二烯-1,4-二亚基)二丙二腈2,3,5,6-四氟-7,7',8,8'-四氰二甲基对苯醌F4TCNQ2,3,5,6-四氟-7,7,8,8-四氰二甲基对苯醌7,7,8,8-Tetracyano-2,3,5,6-tetrafluoroquinodimethane(2,3,5,6-Tetrafluoro-2,5-cyclohexadiene-1,4-diylidene)dimalononitrile2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

IUPAC name

2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

Beilstein Number