dibromoiron;formaldehyde

C4H8Br2FeO4 — CID 15412323

IUPACdibromoiron;formaldehyde
SMILESBr[Fe]Br.C=O.C=O.C=O.C=O
InChIInChI=1S/4CH2O.2BrH.Fe/c4*1-2;;;/h4*1H2;2*1H;/q;;;;;;+2/p-2
InChIKeyJHFUCKIYKUJGDV-UHFFFAOYSA-L
MW335.76 g/mol
LogP0.95
Rot. Bonds

About dibromoiron;formaldehyde

dibromoiron;formaldehyde (PubChem CID 15412323) has the molecular formula C4H8Br2FeO4 and a molecular weight of 335.76 g/mol. Its IUPAC name is dibromoiron;formaldehyde.

Molecular Properties

Compound Namedibromoiron;formaldehyde
PubChem CID15412323
Molecular FormulaC4H8Br2FeO4
Molecular Weight335.76 g/mol
Exact Mass333.81
IUPAC Namedibromoiron;formaldehyde
SMILESBr[Fe]Br.C=O.C=O.C=O.C=O
InChIInChI=1S/4CH2O.2BrH.Fe/c4*1-2;;;/h4*1H2;2*1H;/q;;;;;;+2/p-2
InChIKeyJHFUCKIYKUJGDV-UHFFFAOYSA-L
XLogP0.95
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromoiron;formaldehyde?
The IUPAC name of dibromoiron;formaldehyde (CID 15412323) is dibromoiron;formaldehyde.
What is the SMILES notation for dibromoiron;formaldehyde?
The canonical SMILES for dibromoiron;formaldehyde is Br[Fe]Br.C=O.C=O.C=O.C=O.
What is the InChIKey of dibromoiron;formaldehyde?
The InChIKey is JHFUCKIYKUJGDV-UHFFFAOYSA-L. The full InChI is InChI=1S/4CH2O.2BrH.Fe/c4*1-2;;;/h4*1H2;2*1H;/q;;;;;;+2/p-2.
What are the key properties of dibromoiron;formaldehyde?
dibromoiron;formaldehyde has a molecular weight of 335.76 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibromoiron;formaldehyde is sourced from PubChem (CID 15412323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).