N'-(dichloromethyl)methanediimine

C2H2Cl2N2 — CID 150248858

IUPACN'-(dichloromethyl)methanediimine
SMILESN=C=NC(Cl)Cl
InChIInChI=1S/C2H2Cl2N2/c3-2(4)6-1-5/h2,5H
InChIKeyFZCJXQJLMUKXPO-UHFFFAOYSA-N
MW124.96 g/mol
LogP1.50
Rot. Bonds1

About N'-(dichloromethyl)methanediimine

N'-(dichloromethyl)methanediimine (PubChem CID 150248858) has the molecular formula C2H2Cl2N2 and a molecular weight of 124.96 g/mol. Its IUPAC name is N'-(dichloromethyl)methanediimine.

Molecular Properties

Compound NameN'-(dichloromethyl)methanediimine
PubChem CID150248858
Molecular FormulaC2H2Cl2N2
Molecular Weight124.96 g/mol
Exact Mass123.96
IUPAC NameN'-(dichloromethyl)methanediimine
SMILESN=C=NC(Cl)Cl
InChIInChI=1S/C2H2Cl2N2/c3-2(4)6-1-5/h2,5H
InChIKeyFZCJXQJLMUKXPO-UHFFFAOYSA-N
XLogP1.50
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.96
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(dichloromethyl)methanediimine?
The IUPAC name of N'-(dichloromethyl)methanediimine (CID 150248858) is N'-(dichloromethyl)methanediimine.
What is the SMILES notation for N'-(dichloromethyl)methanediimine?
The canonical SMILES for N'-(dichloromethyl)methanediimine is N=C=NC(Cl)Cl.
What is the InChIKey of N'-(dichloromethyl)methanediimine?
The InChIKey is FZCJXQJLMUKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2N2/c3-2(4)6-1-5/h2,5H.
What are the key properties of N'-(dichloromethyl)methanediimine?
N'-(dichloromethyl)methanediimine has a molecular weight of 124.96 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dichloromethyl)methanediimine is sourced from PubChem (CID 150248858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).