2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile

C11H5Cl2F3N4 — CID 13121995

IUPAC2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H5Cl2F3N4/c12-8-1-7(11(14,15)16)2-9(13)10(8)20-19-5-6(3-17)4-18/h1-2,5,19-20H
InChIKeyDIVKLYSGSDRZSN-UHFFFAOYSA-N
MW321.09 g/mol
LogP3.86
Rot. Bonds3

About 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile

2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile (PubChem CID 13121995) has the molecular formula C11H5Cl2F3N4 and a molecular weight of 321.09 g/mol. Its IUPAC name is 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
PubChem CID13121995
Molecular FormulaC11H5Cl2F3N4
Molecular Weight321.09 g/mol
Exact Mass319.98
IUPAC Name2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H5Cl2F3N4/c12-8-1-7(11(14,15)16)2-9(13)10(8)20-19-5-6(3-17)4-18/h1-2,5,19-20H
InChIKeyDIVKLYSGSDRZSN-UHFFFAOYSA-N
XLogP3.86
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 688223
Propanedinitrile, ((4-cyano-2,6-dichlorophenyl)hydrazono)-
CID 3049422
(2-Chloro-6-fluoro-4-(trifluoromethyl)phenyl)hydrazine
CID 13913421
(2,6-Dichloro-4-trifluoromethyl-phenylazo)-acetonitrile
CID 126508059
(2-Chloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
CID 44717388
2-[2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 2741106
(2,4-Dichloro-6-(trifluoromethyl)phenyl)hydrazine
CID 2736873
(1E)-2-cyano-N-[2,6-dichloro-4-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 10903317
3-(2,6-Dichloro-4-trifluoromethylphenylhydrazino)propionitrile
CID 11087805
(2,6-Dichloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
CID 13121994
2-[[2-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
CID 13121996
2-[[2-[2,3,6-Trichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile
CID 13122000

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile (CID 13121995) is 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile is N#CC(C#N)=CNNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile?
The InChIKey is DIVKLYSGSDRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N4/c12-8-1-7(11(14,15)16)2-9(13)10(8)20-19-5-6(3-17)4-18/h1-2,5,19-20H.
What are the key properties of 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile?
2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile has a molecular weight of 321.09 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinyl]methylidene]propanedinitrile is sourced from PubChem (CID 13121995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).