2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile

C10H6F2N4 — CID 169339068

IUPAC2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cc(F)c(NN=C(C#N)C#N)c(F)c1
InChIInChI=1S/C10H6F2N4/c1-6-2-8(11)10(9(12)3-6)16-15-7(4-13)5-14/h2-3,16H,1H3
InChIKeyFBRKGGFPYMFDRT-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.09
Rot. Bonds2

About 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile

2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169339068) has the molecular formula C10H6F2N4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169339068
Molecular FormulaC10H6F2N4
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cc(F)c(NN=C(C#N)C#N)c(F)c1
InChIInChI=1S/C10H6F2N4/c1-6-2-8(11)10(9(12)3-6)16-15-7(4-13)5-14/h2-3,16H,1H3
InChIKeyFBRKGGFPYMFDRT-UHFFFAOYSA-N
XLogP2.09
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.09
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-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[(2-bromo-4-chloro-6-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169337375
2-[2-(dicyanomethylidene)hydrazinyl]-3,5-dimethylbenzenesulfonic acid
CID 169341716
3-bromo-4-[2-(dicyanomethylidene)hydrazinyl]-5-fluorobenzoic acid
CID 169338097
2-[(2,6-dichloro-4-cyanophenyl)hydrazinylidene]propanedinitrile
CID 3049422
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[[2,3,4-trifluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169341174
2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337694
[5-[2-(dicyanomethylidene)hydrazinyl]-4-fluoro-2-methylphenyl] trifluoromethanesulfonate
CID 169338697
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(3,4-difluoro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341897

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile (CID 169339068) is 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile is Cc1cc(F)c(NN=C(C#N)C#N)c(F)c1.
What is the InChIKey of 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is FBRKGGFPYMFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4/c1-6-2-8(11)10(9(12)3-6)16-15-7(4-13)5-14/h2-3,16H,1H3.
What are the key properties of 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 220.18 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).