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

C10H6F2N4O — CID 169337420

IUPAC2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H6F2N4O/c11-10(12)17-9-3-1-7(2-4-9)15-16-8(5-13)6-14/h1-4,10,15H
InChIKeyCQWDHYGMEXGAFM-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.10
Rot. Bonds4

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

2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337420) has the molecular formula C10H6F2N4O and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337420
Molecular FormulaC10H6F2N4O
Molecular Weight236.18 g/mol
Exact Mass236.05
IUPAC Name2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H6F2N4O/c11-10(12)17-9-3-1-7(2-4-9)15-16-8(5-13)6-14/h1-4,10,15H
InChIKeyCQWDHYGMEXGAFM-UHFFFAOYSA-N
XLogP2.10
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.10
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-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
CID 172931759
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(4-pyrimidin-2-yloxyphenyl)hydrazinylidene]propanedinitrile
CID 163611067
4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
CID 169337735
2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337835
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 86674809
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide
CID 175874280
2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
CID 169341976
2-[[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]hydrazinylidene]propanedinitrile
CID 169338667
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[4-[2-(azepan-1-yl)ethoxy]phenyl]hydrazinylidene]propanedinitrile
CID 169338348

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169337420) is 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is CQWDHYGMEXGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4O/c11-10(12)17-9-3-1-7(2-4-9)15-16-8(5-13)6-14/h1-4,10,15H.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 236.18 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).