Ferrocene

C10H10Fe — CID 10219726

IUPAC—
SMILES[CH]1C=CC=C1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKeyDFRHTHSZMBROSH-UHFFFAOYSA-N
MW186.03 g/mol
LogP2.63
Rot. Bonds

About Ferrocene

Ferrocene (PubChem CID 10219726) has the molecular formula C10H10Fe and a molecular weight of 186.03 g/mol.

Molecular Properties

Compound NameFerrocene
PubChem CID10219726
Molecular FormulaC10H10Fe
Molecular Weight186.03 g/mol
Exact Mass186.01
IUPAC Name—
SMILES[CH]1C=CC=C1.[CH]1C=CC=C1.[Fe]
InChIInChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKeyDFRHTHSZMBROSH-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze Ferrocene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ferrocene?
The IUPAC name of Ferrocene (CID 10219726) is not available.
What is the SMILES notation for Ferrocene?
The canonical SMILES for Ferrocene is [CH]1C=CC=C1.[CH]1C=CC=C1.[Fe].
What is the InChIKey of Ferrocene?
The InChIKey is DFRHTHSZMBROSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;.
What are the key properties of Ferrocene?
Ferrocene has a molecular weight of 186.03 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Ferrocene is sourced from PubChem (CID 10219726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).