trifluoroiron;trihydrate

H6F3FeO3 — CID 44890702

IUPACtrifluoroiron;trihydrate
SMILESF[Fe](F)F.O.O.O
InChIInChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
InChIKeyXILAUHRDSUSGOG-UHFFFAOYSA-K
MW166.88 g/mol
LogP-1.22
Rot. Bonds

About trifluoroiron;trihydrate

trifluoroiron;trihydrate (PubChem CID 44890702) has the molecular formula H6F3FeO3 and a molecular weight of 166.88 g/mol. Its IUPAC name is trifluoroiron;trihydrate.

Molecular Properties

Compound Nametrifluoroiron;trihydrate
PubChem CID44890702
Molecular FormulaH6F3FeO3
Molecular Weight166.88 g/mol
Exact Mass166.96
IUPAC Nametrifluoroiron;trihydrate
SMILESF[Fe](F)F.O.O.O
InChIInChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
InChIKeyXILAUHRDSUSGOG-UHFFFAOYSA-K
XLogP-1.22
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.88
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 trifluoroiron;trihydrate?
The IUPAC name of trifluoroiron;trihydrate (CID 44890702) is trifluoroiron;trihydrate.
What is the SMILES notation for trifluoroiron;trihydrate?
The canonical SMILES for trifluoroiron;trihydrate is F[Fe](F)F.O.O.O.
What is the InChIKey of trifluoroiron;trihydrate?
The InChIKey is XILAUHRDSUSGOG-UHFFFAOYSA-K. The full InChI is InChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3.
What are the key properties of trifluoroiron;trihydrate?
trifluoroiron;trihydrate has a molecular weight of 166.88 g/mol, XLogP of -1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoroiron;trihydrate is sourced from PubChem (CID 44890702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).