(6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile

C18H5F3N4 — CID 176690094

IUPAC(6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile
SMILESC=c1c(C#N)c/c(=C(/C#N)c2c(F)cc(F)cc2F)c(C#N)c1C#N
InChIInChI=1S/C18H5F3N4/c1-9-10(5-22)2-12(14(7-24)13(9)6-23)15(8-25)18-16(20)3-11(19)4-17(18)21/h2-4H,1H2/b15-12+
InChIKeySTNLCOWRLJIRKX-NTCAYCPXSA-N
MW334.26 g/mol
LogP1.85
Rot. Bonds1

About (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile

(6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile (PubChem CID 176690094) has the molecular formula C18H5F3N4 and a molecular weight of 334.26 g/mol. Its IUPAC name is (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Name(6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile
PubChem CID176690094
Molecular FormulaC18H5F3N4
Molecular Weight334.26 g/mol
Exact Mass334.05
IUPAC Name(6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile
SMILESC=c1c(C#N)c/c(=C(/C#N)c2c(F)cc(F)cc2F)c(C#N)c1C#N
InChIInChI=1S/C18H5F3N4/c1-9-10(5-22)2-12(14(7-24)13(9)6-23)15(8-25)18-16(20)3-11(19)4-17(18)21/h2-4H,1H2/b15-12+
InChIKeySTNLCOWRLJIRKX-NTCAYCPXSA-N
XLogP1.85
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-3-[cyano-(4-cyano-2,3,5,6-tetrafluorophenyl)methylidene]-6-(dicyanomethylidene)cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176689872
2-cyano-4,6-difluorobenzoyl chloride
CID 131072058
(3Z,6Z)-3,6-bis[cyano-(3,4-dicyanophenyl)methylidene]cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176690214
(3Z,6E)-3,6-bis[cyano-[3,4-dicyano-2,5-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176690281
2,3,5-trifluorobenzonitrile
CID 2776998
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727
(3Z,6E)-3,6-bis[[2,6-bis(trifluoromethyl)-4-pyridinyl]-cyanomethylidene]cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176690271
(3Z,6Z)-3,6-bis[cyano-[2,5-dicyano-3,4-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176690258
(3E)-3-[cyano-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylidene]-6-(dicyanomethylidene)cyclohexa-1,4-diene-1,4-dicarbonitrile
CID 176690096
2-[(4Z)-2-cyano-4-[cyano-[4-cyano-3,5-bis(trifluoromethyl)phenyl]methylidene]-5-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 176690103
(3E,6E)-3,6-bis[cyano-[2,5-dicyano-3-(trifluoromethyl)phenyl]methylidene]cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176690278
(3Z,6Z)-3,6-bis[cyano-[5-cyano-2,3-bis(trifluoromethyl)phenyl]methylidene]cyclohexa-1,4-diene-1,2,4-tricarbonitrile
CID 176690252

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile?
The IUPAC name of (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile (CID 176690094) is (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile.
What is the SMILES notation for (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile?
The canonical SMILES for (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile is C=c1c(C#N)c/c(=C(/C#N)c2c(F)cc(F)cc2F)c(C#N)c1C#N.
What is the InChIKey of (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile?
The InChIKey is STNLCOWRLJIRKX-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H5F3N4/c1-9-10(5-22)2-12(14(7-24)13(9)6-23)15(8-25)18-16(20)3-11(19)4-17(18)21/h2-4H,1H2/b15-12+.
What are the key properties of (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile?
(6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile has a molecular weight of 334.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[cyano-(2,4,6-trifluorophenyl)methylidene]-3-methylidenecyclohexa-1,4-diene-1,2,4-tricarbonitrile is sourced from PubChem (CID 176690094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).