hydron;iron(3+);dihydrate

H7FeO2+6 — CID 161394909

IUPAChydron;iron(3+);dihydrate
SMILESO.O.[Fe+3].[H+].[H+].[H+]
InChIInChI=1S/Fe.2H2O/h;2*1H2/q+3;;/p+3
InChIKeySZDOSDXWAOBQFH-UHFFFAOYSA-Q
MW94.90 g/mol
LogP-1.31
Rot. Bonds

About hydron;iron(3+);dihydrate

hydron;iron(3+);dihydrate (PubChem CID 161394909) has the molecular formula H7FeO2+6 and a molecular weight of 94.90 g/mol. Its IUPAC name is hydron;iron(3+);dihydrate.

Molecular Properties

Compound Namehydron;iron(3+);dihydrate
PubChem CID161394909
Molecular FormulaH7FeO2+6
Molecular Weight94.90 g/mol
Exact Mass94.98
IUPAC Namehydron;iron(3+);dihydrate
SMILESO.O.[Fe+3].[H+].[H+].[H+]
InChIInChI=1S/Fe.2H2O/h;2*1H2/q+3;;/p+3
InChIKeySZDOSDXWAOBQFH-UHFFFAOYSA-Q
XLogP-1.31
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.90
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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iron(3+);trifluoride;trihydrate
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iron(3+);oxygen(2-);hydroxide;hydrate
CID 23320441
oxidane
CID 657017
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CID 170839029
oxidane
CID 173081003
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Frequently Asked Questions

What is the IUPAC name of hydron;iron(3+);dihydrate?
The IUPAC name of hydron;iron(3+);dihydrate (CID 161394909) is hydron;iron(3+);dihydrate.
What is the SMILES notation for hydron;iron(3+);dihydrate?
The canonical SMILES for hydron;iron(3+);dihydrate is O.O.[Fe+3].[H+].[H+].[H+].
What is the InChIKey of hydron;iron(3+);dihydrate?
The InChIKey is SZDOSDXWAOBQFH-UHFFFAOYSA-Q. The full InChI is InChI=1S/Fe.2H2O/h;2*1H2/q+3;;/p+3.
What are the key properties of hydron;iron(3+);dihydrate?
hydron;iron(3+);dihydrate has a molecular weight of 94.90 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;iron(3+);dihydrate is sourced from PubChem (CID 161394909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).