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

C9H4F2N4 — CID 169341882

IUPAC2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(F)ccc1F
InChIInChI=1S/C9H4F2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,15H
InChIKeyMWNNYBKXSXKQOW-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.78
Rot. Bonds2

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

2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341882) has the molecular formula C9H4F2N4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
PubChem CID169341882
Molecular FormulaC9H4F2N4
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(F)ccc1F
InChIInChI=1S/C9H4F2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,15H
InChIKeyMWNNYBKXSXKQOW-UHFFFAOYSA-N
XLogP1.78
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169340874
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169338208
1-[4-[2-(dicyanomethylidene)hydrazinyl]-3-fluorophenyl]-3-(4-fluorophenyl)urea
CID 169341243
2-[(4-ethynyl-2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169340845
2-[(3-bromo-2-chloro-5-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169341390
2-[(2-ethoxy-3,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341879
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid
CID 87771572
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile (CID 169341882) is 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is MWNNYBKXSXKQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2N4/c10-6-1-2-8(11)9(3-6)15-14-7(4-12)5-13/h1-3,15H.
What are the key properties of 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile?
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 206.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).