2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile

C11H8F2N4O — CID 169341879

IUPAC2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1c(F)cc(F)cc1NN=C(C#N)C#N
InChIInChI=1S/C11H8F2N4O/c1-2-18-11-9(13)3-7(12)4-10(11)17-16-8(5-14)6-15/h3-4,17H,2H2,1H3
InChIKeyRLDPZPUPTORJEW-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.18
Rot. Bonds4

About 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile

2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341879) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
PubChem CID169341879
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
SMILESCCOc1c(F)cc(F)cc1NN=C(C#N)C#N
InChIInChI=1S/C11H8F2N4O/c1-2-18-11-9(13)3-7(12)4-10(11)17-16-8(5-14)6-15/h3-4,17H,2H2,1H3
InChIKeyRLDPZPUPTORJEW-UHFFFAOYSA-N
XLogP2.18
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.18
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-ethoxy-3,5-difluorophenyl)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

Related Compounds

2-[(3-bromo-5-chloro-2-ethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338504
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[(2,5-diethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341784
2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
CID 169341191
2-[(3-bromo-2-chloro-5-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169341390
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
1-azido-2-ethoxy-3,5-difluorobenzene
CID 150103963
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339068
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
2-[(2-ethoxy-5-fluoroanilino)methylidene]propanedinitrile
CID 168543731

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile (CID 169341879) is 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile is CCOc1c(F)cc(F)cc1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is RLDPZPUPTORJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c1-2-18-11-9(13)3-7(12)4-10(11)17-16-8(5-14)6-15/h3-4,17H,2H2,1H3.
What are the key properties of 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile?
2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 250.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).