2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile

C15H9FN4O — CID 169339853

IUPAC2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C15H9FN4O/c16-11-4-6-14(7-5-11)21-15-3-1-2-12(8-15)19-20-13(9-17)10-18/h1-8,19H
InChIKeyGIOCBWKGXAEWPF-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.43
Rot. Bonds4

About 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339853) has the molecular formula C15H9FN4O and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339853
Molecular FormulaC15H9FN4O
Molecular Weight280.26 g/mol
Exact Mass280.08
IUPAC Name2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C15H9FN4O/c16-11-4-6-14(7-5-11)21-15-3-1-2-12(8-15)19-20-13(9-17)10-18/h1-8,19H
InChIKeyGIOCBWKGXAEWPF-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-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338880
4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
CID 169337735
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-[[4-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169342011
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163787838
2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163611067

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169339853) is 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is GIOCBWKGXAEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O/c16-11-4-6-14(7-5-11)21-15-3-1-2-12(8-15)19-20-13(9-17)10-18/h1-8,19H.
What are the key properties of 2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(4-fluorophenoxy)phenyl]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-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).