dichloroiron;formaldehyde

C4H8Cl2FeO4 — CID 15446929

IUPACdichloroiron;formaldehyde
SMILESC=O.C=O.C=O.C=O.Cl[Fe]Cl
InChIInChI=1S/4CH2O.2ClH.Fe/c4*1-2;;;/h4*1H2;2*1H;/q;;;;;;+2/p-2
InChIKeyACSCHWCOZFXFNV-UHFFFAOYSA-L
MW246.85 g/mol
LogP0.64
Rot. Bonds

About dichloroiron;formaldehyde

dichloroiron;formaldehyde (PubChem CID 15446929) has the molecular formula C4H8Cl2FeO4 and a molecular weight of 246.85 g/mol. Its IUPAC name is dichloroiron;formaldehyde.

Molecular Properties

Compound Namedichloroiron;formaldehyde
PubChem CID15446929
Molecular FormulaC4H8Cl2FeO4
Molecular Weight246.85 g/mol
Exact Mass245.91
IUPAC Namedichloroiron;formaldehyde
SMILESC=O.C=O.C=O.C=O.Cl[Fe]Cl
InChIInChI=1S/4CH2O.2ClH.Fe/c4*1-2;;;/h4*1H2;2*1H;/q;;;;;;+2/p-2
InChIKeyACSCHWCOZFXFNV-UHFFFAOYSA-L
XLogP0.64
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.85
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dichloroiron;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloroiron;formaldehyde?
The IUPAC name of dichloroiron;formaldehyde (CID 15446929) is dichloroiron;formaldehyde.
What is the SMILES notation for dichloroiron;formaldehyde?
The canonical SMILES for dichloroiron;formaldehyde is C=O.C=O.C=O.C=O.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;formaldehyde?
The InChIKey is ACSCHWCOZFXFNV-UHFFFAOYSA-L. The full InChI is InChI=1S/4CH2O.2ClH.Fe/c4*1-2;;;/h4*1H2;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dichloroiron;formaldehyde?
dichloroiron;formaldehyde has a molecular weight of 246.85 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;formaldehyde is sourced from PubChem (CID 15446929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).