iron(3+);methane;phosphate

CH4FeO4P — CID 88850558

IUPACiron(3+);methane;phosphate
SMILESC.O=P([O-])([O-])[O-].[Fe+3]
InChIInChI=1S/CH4.Fe.H3O4P/c;;1-5(2,3)4/h1H4;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyLJCZCWWOUWJOFM-UHFFFAOYSA-K
MW166.86 g/mol
LogP-2.19
Rot. Bonds

About iron(3+);methane;phosphate

iron(3+);methane;phosphate (PubChem CID 88850558) has the molecular formula CH4FeO4P and a molecular weight of 166.86 g/mol. Its IUPAC name is iron(3+);methane;phosphate.

Molecular Properties

Compound Nameiron(3+);methane;phosphate
PubChem CID88850558
Molecular FormulaCH4FeO4P
Molecular Weight166.86 g/mol
Exact Mass166.92
IUPAC Nameiron(3+);methane;phosphate
SMILESC.O=P([O-])([O-])[O-].[Fe+3]
InChIInChI=1S/CH4.Fe.H3O4P/c;;1-5(2,3)4/h1H4;;(H3,1,2,3,4)/q;+3;/p-3
InChIKeyLJCZCWWOUWJOFM-UHFFFAOYSA-K
XLogP-2.19
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.86
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane phosphate
CID 22352647
hydron;iron(3+);phosphate
CID 173036063
trilithium;iron(3+);diphosphate
CID 102600810
CID 158150177
CID 158150177
trimagnesium;iron(3+);triphosphate
CID 173343441
CID 173065619
CID 173065619
tris(iron(3+));tris(lead(2+));tris(vanadium);decaphosphate
CID 173269238
bis(nickel(2+));hydroxide;phosphate
CID 11665794
zirconium diphosphate
CID 3014757
phosphate octahydrate
CID 22485829
heptasodium;phosphate
CID 159686031
molybdenum diphosphate
CID 22395595

Frequently Asked Questions

What is the IUPAC name of iron(3+);methane;phosphate?
The IUPAC name of iron(3+);methane;phosphate (CID 88850558) is iron(3+);methane;phosphate.
What is the SMILES notation for iron(3+);methane;phosphate?
The canonical SMILES for iron(3+);methane;phosphate is C.O=P([O-])([O-])[O-].[Fe+3].
What is the InChIKey of iron(3+);methane;phosphate?
The InChIKey is LJCZCWWOUWJOFM-UHFFFAOYSA-K. The full InChI is InChI=1S/CH4.Fe.H3O4P/c;;1-5(2,3)4/h1H4;;(H3,1,2,3,4)/q;+3;/p-3.
What are the key properties of iron(3+);methane;phosphate?
iron(3+);methane;phosphate has a molecular weight of 166.86 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);methane;phosphate is sourced from PubChem (CID 88850558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).