N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide

C11H8FN5 — CID 12982025

IUPACN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide
SMILESN#C/C(N)=C(C#N)/N=C/Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN5/c12-8-1-3-9(4-2-8)16-7-17-11(6-14)10(15)5-13/h1-4,7H,15H2,(H,16,17)/b11-10-
InChIKeyCGXZMFJUBJNQDL-KHPPLWFESA-N
MW229.22 g/mol
LogP1.48
Rot. Bonds3

About N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide

N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide (PubChem CID 12982025) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide
PubChem CID12982025
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC NameN'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide
SMILESN#C/C(N)=C(C#N)/N=C/Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN5/c12-8-1-3-9(4-2-8)16-7-17-11(6-14)10(15)5-13/h1-4,7H,15H2,(H,16,17)/b11-10-
InChIKeyCGXZMFJUBJNQDL-KHPPLWFESA-N
XLogP1.48
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide?
The IUPAC name of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide (CID 12982025) is N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide is N#C/C(N)=C(C#N)/N=C/Nc1ccc(F)cc1.
What is the InChIKey of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide?
The InChIKey is CGXZMFJUBJNQDL-KHPPLWFESA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-1-3-9(4-2-8)16-7-17-11(6-14)10(15)5-13/h1-4,7H,15H2,(H,16,17)/b11-10-.
What are the key properties of N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide?
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide has a molecular weight of 229.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(4-fluorophenyl)methanimidamide is sourced from PubChem (CID 12982025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).