2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile

C10H4ClF3N4O — CID 169339103

IUPAC2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C10H4ClF3N4O/c11-7-2-1-3-8(19-10(12,13)14)9(7)18-17-6(4-15)5-16/h1-3,18H
InChIKeyPPKVAICPQHEQRS-UHFFFAOYSA-N
MW288.62 g/mol
LogP3.05
Rot. Bonds3

About 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339103) has the molecular formula C10H4ClF3N4O and a molecular weight of 288.62 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339103
Molecular FormulaC10H4ClF3N4O
Molecular Weight288.62 g/mol
Exact Mass288.00
IUPAC Name2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C10H4ClF3N4O/c11-7-2-1-3-8(19-10(12,13)14)9(7)18-17-6(4-15)5-16/h1-3,18H
InChIKeyPPKVAICPQHEQRS-UHFFFAOYSA-N
XLogP3.05
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]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-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169339103) is 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1c(Cl)cccc1OC(F)(F)F.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is PPKVAICPQHEQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4O/c11-7-2-1-3-8(19-10(12,13)14)9(7)18-17-6(4-15)5-16/h1-3,18H.
What are the key properties of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 288.62 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).