2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile

C10H3F2N5 — CID 169340874

IUPAC2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(F)c(F)c1C#N
InChIInChI=1S/C10H3F2N5/c11-8-1-2-9(7(5-15)10(8)12)17-16-6(3-13)4-14/h1-2,17H
InChIKeyDPVZNVLXOHYZLH-UHFFFAOYSA-N
MW231.16 g/mol
LogP1.65
Rot. Bonds2

About 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile

2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340874) has the molecular formula C10H3F2N5 and a molecular weight of 231.16 g/mol. Its IUPAC name is 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
PubChem CID169340874
Molecular FormulaC10H3F2N5
Molecular Weight231.16 g/mol
Exact Mass231.04
IUPAC Name2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(F)c(F)c1C#N
InChIInChI=1S/C10H3F2N5/c11-8-1-2-9(7(5-15)10(8)12)17-16-6(3-13)4-14/h1-2,17H
InChIKeyDPVZNVLXOHYZLH-UHFFFAOYSA-N
XLogP1.65
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 51.65
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-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(4-ethynyl-2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169340845
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
2-[[3-bromo-2-(difluoromethoxy)-4-fluorophenyl]hydrazinylidene]propanedinitrile
CID 169338667
methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea
CID 169341243
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile (CID 169340874) is 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(F)c(F)c1C#N.
What is the InChIKey of 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is DPVZNVLXOHYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F2N5/c11-8-1-2-9(7(5-15)10(8)12)17-16-6(3-13)4-14/h1-2,17H.
What are the key properties of 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile?
2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 231.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).