2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile

C12H4FN5 — CID 143775410

IUPAC2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1cc(F)c(=C(C#N)C#N)cc1N
InChIInChI=1S/C12H4FN5/c13-11-1-10(8(5-16)6-17)12(18)2-9(11)7(3-14)4-15/h1-2H,18H2
InChIKeyLJGOIEJNLCKPJA-UHFFFAOYSA-N
MW237.20 g/mol
LogP-0.20
Rot. Bonds

About 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile

2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile (PubChem CID 143775410) has the molecular formula C12H4FN5 and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
PubChem CID143775410
Molecular FormulaC12H4FN5
Molecular Weight237.20 g/mol
Exact Mass237.05
IUPAC Name2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1cc(F)c(=C(C#N)C#N)cc1N
InChIInChI=1S/C12H4FN5/c13-11-1-10(8(5-16)6-17)12(18)2-9(11)7(3-14)4-15/h1-2H,18H2
InChIKeyLJGOIEJNLCKPJA-UHFFFAOYSA-N
XLogP-0.20
TPSA121.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The IUPAC name of 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile (CID 143775410) is 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile is N#CC(C#N)=c1cc(F)c(=C(C#N)C#N)cc1N.
What is the InChIKey of 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The InChIKey is LJGOIEJNLCKPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4FN5/c13-11-1-10(8(5-16)6-17)12(18)2-9(11)7(3-14)4-15/h1-2H,18H2.
What are the key properties of 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile?
2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile has a molecular weight of 237.20 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(dicyanomethylidene)-2-fluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile is sourced from PubChem (CID 143775410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).