2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile

C10H7FN4 — CID 169337336

IUPAC2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1ccc(NN=C(C#N)C#N)cc1F
InChIInChI=1S/C10H7FN4/c1-7-2-3-8(4-10(7)11)14-15-9(5-12)6-13/h2-4,14H,1H3
InChIKeyMSBBJLAYJXGDRO-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.95
Rot. Bonds2

About 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile

2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337336) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169337336
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1ccc(NN=C(C#N)C#N)cc1F
InChIInChI=1S/C10H7FN4/c1-7-2-3-8(4-10(7)11)14-15-9(5-12)6-13/h2-4,14H,1H3
InChIKeyMSBBJLAYJXGDRO-UHFFFAOYSA-N
XLogP1.95
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.95
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-[[3-(dimethylamino)-4-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340067
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339068
2-[[3-fluoro-4-(3-methoxypropoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340200
2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340479
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
2-[(3,4-difluoro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341897
2-[[3-chloro-4-(3,4-dimethylphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339212
N-[4-[2-(dicyanomethylidene)hydrazinyl]-2-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 166903288
3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6295470

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile (CID 169337336) is 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile is Cc1ccc(NN=C(C#N)C#N)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is MSBBJLAYJXGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c1-7-2-3-8(4-10(7)11)14-15-9(5-12)6-13/h2-4,14H,1H3.
What are the key properties of 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 202.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).