copper;iron(3+);diacetate;trichloride

C4H6Cl3CuFeO4 — CID 173400974

IUPACcopper;iron(3+);diacetate;trichloride
SMILESCC(=O)[O-].CC(=O)[O-].[Cl-].[Cl-].[Cl-].[Cu+2].[Fe+3]
InChIInChI=1S/2C2H4O2.3ClH.Cu.Fe/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);3*1H;;/q;;;;;+2;+3/p-5
InChIKeySORPDTWHKSKCMZ-UHFFFAOYSA-I
MW343.84 g/mol
LogP-11.48
Rot. Bonds

About copper;iron(3+);diacetate;trichloride

copper;iron(3+);diacetate;trichloride (PubChem CID 173400974) has the molecular formula C4H6Cl3CuFeO4 and a molecular weight of 343.84 g/mol. Its IUPAC name is copper;iron(3+);diacetate;trichloride.

Molecular Properties

Compound Namecopper;iron(3+);diacetate;trichloride
PubChem CID173400974
Molecular FormulaC4H6Cl3CuFeO4
Molecular Weight343.84 g/mol
Exact Mass341.80
IUPAC Namecopper;iron(3+);diacetate;trichloride
SMILESCC(=O)[O-].CC(=O)[O-].[Cl-].[Cl-].[Cl-].[Cu+2].[Fe+3]
InChIInChI=1S/2C2H4O2.3ClH.Cu.Fe/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);3*1H;;/q;;;;;+2;+3/p-5
InChIKeySORPDTWHKSKCMZ-UHFFFAOYSA-I
XLogP-11.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 5-11.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;iron(3+);diacetate;trichloride?
The IUPAC name of copper;iron(3+);diacetate;trichloride (CID 173400974) is copper;iron(3+);diacetate;trichloride.
What is the SMILES notation for copper;iron(3+);diacetate;trichloride?
The canonical SMILES for copper;iron(3+);diacetate;trichloride is CC(=O)[O-].CC(=O)[O-].[Cl-].[Cl-].[Cl-].[Cu+2].[Fe+3].
What is the InChIKey of copper;iron(3+);diacetate;trichloride?
The InChIKey is SORPDTWHKSKCMZ-UHFFFAOYSA-I. The full InChI is InChI=1S/2C2H4O2.3ClH.Cu.Fe/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);3*1H;;/q;;;;;+2;+3/p-5.
What are the key properties of copper;iron(3+);diacetate;trichloride?
copper;iron(3+);diacetate;trichloride has a molecular weight of 343.84 g/mol, XLogP of -11.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;iron(3+);diacetate;trichloride is sourced from PubChem (CID 173400974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).