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

C10H3Cl2F3N4 — CID 2741106

IUPAC2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl2F3N4/c11-7-1-5(10(13,14)15)2-8(12)9(7)19-18-6(3-16)4-17/h1-2,19H
InChIKeyQVAHKXTXSKVRRO-UHFFFAOYSA-N
MW307.06 g/mol
LogP3.83
Rot. Bonds2

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

2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 2741106) has the molecular formula C10H3Cl2F3N4 and a molecular weight of 307.06 g/mol. Its IUPAC name is 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID2741106
Molecular FormulaC10H3Cl2F3N4
Molecular Weight307.06 g/mol
Exact Mass305.97
IUPAC Name2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl2F3N4/c11-7-1-5(10(13,14)15)2-8(12)9(7)19-18-6(3-16)4-17/h1-2,19H
InChIKeyQVAHKXTXSKVRRO-UHFFFAOYSA-N
XLogP3.83
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile (CID 2741106) is 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is QVAHKXTXSKVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl2F3N4/c11-7-1-5(10(13,14)15)2-8(12)9(7)19-18-6(3-16)4-17/h1-2,19H.
What are the key properties of 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 307.06 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 2741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).