2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile

C11H8F2N4O — CID 169339391

IUPAC2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile
SMILESCc1ccc(NN=C(C#N)C#N)c(OC(F)F)c1
InChIInChI=1S/C11H8F2N4O/c1-7-2-3-9(10(4-7)18-11(12)13)17-16-8(5-14)6-15/h2-4,11,17H,1H3
InChIKeyGEAFJSUACJDSBJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.41
Rot. Bonds4

About 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile

2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339391) has the molecular formula C11H8F2N4O and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile
PubChem CID169339391
Molecular FormulaC11H8F2N4O
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile
SMILESCc1ccc(NN=C(C#N)C#N)c(OC(F)F)c1
InChIInChI=1S/C11H8F2N4O/c1-7-2-3-9(10(4-7)18-11(12)13)17-16-8(5-14)6-15/h2-4,11,17H,1H3
InChIKeyGEAFJSUACJDSBJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

(1Z)-2-amino-N-[2-(difluoromethoxy)-4-methylanilino]-2-iminoethanimidoyl cyanide
CID 172977721
2-[[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]hydrazinylidene]propanedinitrile
CID 169338667
1-[2-(difluoromethoxy)-4-methylphenyl]-3-(2,5-dimethylphenyl)thiourea
CID 17284915
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
5-[[2-(difluoromethoxy)-4-methylanilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538510
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339068
2-[(2-methyl-4-phenylphenyl)hydrazinylidene]propanedinitrile
CID 169341630
1-[2-(difluoromethoxy)-4-methylphenyl]-3-prop-2-enylthiourea
CID 2172587
2-[(4-bromo-2-methoxy-3-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338883
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile (CID 169339391) is 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile is Cc1ccc(NN=C(C#N)C#N)c(OC(F)F)c1.
What is the InChIKey of 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile?
The InChIKey is GEAFJSUACJDSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O/c1-7-2-3-9(10(4-7)18-11(12)13)17-16-8(5-14)6-15/h2-4,11,17H,1H3.
What are the key properties of 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile?
2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile has a molecular weight of 250.21 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-4-methylphenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).