iron dihydride;hydrate

H2FeO — CID 175916481

IUPACiron dihydride;hydrate
SMILESO.[Fe]
InChIInChI=1S/Fe.H2O/h;1H2
InChIKeyWKPSFPXMYGFAQW-UHFFFAOYSA-N
MW73.86 g/mol
LogP-0.83
Rot. Bonds

About iron dihydride;hydrate

iron dihydride;hydrate (PubChem CID 175916481) has the molecular formula H2FeO and a molecular weight of 73.86 g/mol. Its IUPAC name is iron dihydride;hydrate.

Molecular Properties

Compound Nameiron dihydride;hydrate
PubChem CID175916481
Molecular FormulaH2FeO
Molecular Weight73.86 g/mol
Exact Mass73.95
IUPAC Nameiron dihydride;hydrate
SMILESO.[Fe]
InChIInChI=1S/Fe.H2O/h;1H2
InChIKeyWKPSFPXMYGFAQW-UHFFFAOYSA-N
XLogP-0.83
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.86
LogP ≤ 5-0.83
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;tridecahydrate
CID 173126990
iron;trihydrate
CID 173070166
iron;λ2-plumbane;hydrate
CID 174833676
cobalt;iron;hydrate
CID 156591869
chromium;iron;trihydrate
CID 173372946
CID 170843835
CID 170843835
CID 53244352
CID 53244352
iron;heptahydrate;hydrochloride
CID 173205623

Frequently Asked Questions

What is the IUPAC name of iron dihydride;hydrate?
The IUPAC name of iron dihydride;hydrate (CID 175916481) is iron dihydride;hydrate.
What is the SMILES notation for iron dihydride;hydrate?
The canonical SMILES for iron dihydride;hydrate is O.[Fe].
What is the InChIKey of iron dihydride;hydrate?
The InChIKey is WKPSFPXMYGFAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2O/h;1H2.
What are the key properties of iron dihydride;hydrate?
iron dihydride;hydrate has a molecular weight of 73.86 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron dihydride;hydrate is sourced from PubChem (CID 175916481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).