2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile

C15H9FN4O — CID 166903327

IUPAC2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C15H9FN4O/c16-14-8-11(19-20-12(9-17)10-18)6-7-15(14)21-13-4-2-1-3-5-13/h1-8,19H
InChIKeyBNPWRDQTKJTMLA-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.43
Rot. Bonds4

About 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile

2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile (PubChem CID 166903327) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
PubChem CID166903327
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C15H9FN4O/c16-14-8-11(19-20-12(9-17)10-18)6-7-15(14)21-13-4-2-1-3-5-13/h1-8,19H
InChIKeyBNPWRDQTKJTMLA-UHFFFAOYSA-N
XLogP3.43
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.43
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'}

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Related Compounds

2-[(3-fluoro-4-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163787838
2-[[4-(2-fluoro-4-methylsulfonylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339030
2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340479
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[2-phenoxy-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169340503
2-[[3-fluoro-4-(3-methoxypropoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340200
2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169342011
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339007
4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
CID 169337735
2-[[3-chloro-4-(3,4-dimethylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339212
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile (CID 166903327) is 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is BNPWRDQTKJTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-14-8-11(19-20-12(9-17)10-18)6-7-15(14)21-13-4-2-1-3-5-13/h1-8,19H.
What are the key properties of 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile?
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 280.26 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 166903327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).