iron;phosphanylformaldehyde

CH3FeOP — CID 88816472

IUPACiron;phosphanylformaldehyde
SMILESO=CP.[Fe]
InChIInChI=1S/CH3OP.Fe/c2-1-3;/h1H,3H2;
InChIKeyVDDHVYHUMVZJNR-UHFFFAOYSA-N
MW117.85 g/mol
LogP0.05
Rot. Bonds

About iron;phosphanylformaldehyde

iron;phosphanylformaldehyde (PubChem CID 88816472) has the molecular formula CH3FeOP and a molecular weight of 117.85 g/mol. Its IUPAC name is iron;phosphanylformaldehyde.

Molecular Properties

Compound Nameiron;phosphanylformaldehyde
PubChem CID88816472
Molecular FormulaCH3FeOP
Molecular Weight117.85 g/mol
Exact Mass117.93
IUPAC Nameiron;phosphanylformaldehyde
SMILESO=CP.[Fe]
InChIInChI=1S/CH3OP.Fe/c2-1-3;/h1H,3H2;
InChIKeyVDDHVYHUMVZJNR-UHFFFAOYSA-N
XLogP0.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.85
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;phosphanylformaldehyde?
The IUPAC name of iron;phosphanylformaldehyde (CID 88816472) is iron;phosphanylformaldehyde.
What is the SMILES notation for iron;phosphanylformaldehyde?
The canonical SMILES for iron;phosphanylformaldehyde is O=CP.[Fe].
What is the InChIKey of iron;phosphanylformaldehyde?
The InChIKey is VDDHVYHUMVZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3OP.Fe/c2-1-3;/h1H,3H2;.
What are the key properties of iron;phosphanylformaldehyde?
iron;phosphanylformaldehyde has a molecular weight of 117.85 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron;phosphanylformaldehyde is sourced from PubChem (CID 88816472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).