iron;trihydrate

H6Fe3O3 — CID 173070166

IUPACiron;trihydrate
SMILESO.O.O.[Fe].[Fe].[Fe]
InChIInChI=1S/3Fe.3H2O/h;;;3*1H2
InChIKeyNQPNHCATZZQGML-UHFFFAOYSA-N
MW221.58 g/mol
LogP-2.48
Rot. Bonds

About iron;trihydrate

iron;trihydrate (PubChem CID 173070166) has the molecular formula H6Fe3O3 and a molecular weight of 221.58 g/mol. Its IUPAC name is iron;trihydrate.

Molecular Properties

Compound Nameiron;trihydrate
PubChem CID173070166
Molecular FormulaH6Fe3O3
Molecular Weight221.58 g/mol
Exact Mass221.84
IUPAC Nameiron;trihydrate
SMILESO.O.O.[Fe].[Fe].[Fe]
InChIInChI=1S/3Fe.3H2O/h;;;3*1H2
InChIKeyNQPNHCATZZQGML-UHFFFAOYSA-N
XLogP-2.48
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.58
LogP ≤ 5-2.48
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

iron;dodecahydrate
CID 173337995
iron;hydrate
CID 173302268
iron;trihydrate
CID 56841934
iron;undecahydrate
CID 42626946
iron dihydride;hydrate
CID 175916481
iron;tridecahydrate
CID 173126990
iron;λ2-plumbane;hydrate
CID 174833676
cobalt;iron;hydrate
CID 156591869
chromium;iron;trihydrate
CID 173372946
CID 170843835
CID 170843835
CID 53244352
CID 53244352
CID 175010158
CID 175010158

Frequently Asked Questions

What is the IUPAC name of iron;trihydrate?
The IUPAC name of iron;trihydrate (CID 173070166) is iron;trihydrate.
What is the SMILES notation for iron;trihydrate?
The canonical SMILES for iron;trihydrate is O.O.O.[Fe].[Fe].[Fe].
What is the InChIKey of iron;trihydrate?
The InChIKey is NQPNHCATZZQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/3Fe.3H2O/h;;;3*1H2.
What are the key properties of iron;trihydrate?
iron;trihydrate has a molecular weight of 221.58 g/mol, XLogP of -2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;trihydrate is sourced from PubChem (CID 173070166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).