2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile

C10H4ClF3N4 — CID 169337449

IUPAC2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H4ClF3N4/c11-9-7(10(12,13)14)2-1-3-8(9)18-17-6(4-15)5-16/h1-3,18H
InChIKeyDKSXTKJRCCSSAK-UHFFFAOYSA-N
MW272.62 g/mol
LogP3.17
Rot. Bonds2

About 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337449) has the molecular formula C10H4ClF3N4 and a molecular weight of 272.62 g/mol. Its IUPAC name is 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337449
Molecular FormulaC10H4ClF3N4
Molecular Weight272.62 g/mol
Exact Mass272.01
IUPAC Name2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H4ClF3N4/c11-9-7(10(12,13)14)2-1-3-8(9)18-17-6(4-15)5-16/h1-3,18H
InChIKeyDKSXTKJRCCSSAK-UHFFFAOYSA-N
XLogP3.17
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.62
LogP ≤ 53.17
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-(hydroxymethyl)-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339854
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]hydrazinylidene]propanedinitrile
CID 169341585
2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339103
(1Z)-2-amino-2-sulfanylidene-N-[2-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 5372832
2-[[2-chloro-5-(trifluoromethylsulfanyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338100
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339101

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (CID 169337449) is 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is DKSXTKJRCCSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4/c11-9-7(10(12,13)14)2-1-3-8(9)18-17-6(4-15)5-16/h1-3,18H.
What are the key properties of 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 272.62 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).