About 1,1'-Dilithioferrocen
1,1'-Dilithioferrocen (PubChem CID 11063390) has the molecular formula C10H8FeLi2
and a molecular weight of 197.90 g/mol.
Molecular Properties
| Compound Name | 1,1'-Dilithioferrocen |
|---|
| PubChem CID | 11063390 |
|---|
| Molecular Formula | C10H8FeLi2 |
|---|
| Molecular Weight | 197.90 g/mol |
|---|
| Exact Mass | 198.03 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [C-]1[CH][CH][CH][CH]1.[C-]1[CH][CH][CH][CH]1.[Fe].[Li+].[Li+] |
|---|
| InChI | InChI=1S/2C5H4.Fe.2Li/c2*1-2-4-5-3-1;;;/h2*1-4H;;;/q2*-1;;2*+1 |
|---|
| InChIKey | CWUATGTYNYDRDF-UHFFFAOYSA-N |
|---|
| XLogP | -4.20 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 197.90 |
| LogP ≤ 5 | -4.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze 1,1'-Dilithioferrocen 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 1,1'-Dilithioferrocen?
The IUPAC name of 1,1'-Dilithioferrocen (CID 11063390) is not available.
What is the SMILES notation for 1,1'-Dilithioferrocen?
The canonical SMILES for 1,1'-Dilithioferrocen is [C-]1[CH][CH][CH][CH]1.[C-]1[CH][CH][CH][CH]1.[Fe].[Li+].[Li+].
What is the InChIKey of 1,1'-Dilithioferrocen?
The InChIKey is CWUATGTYNYDRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4.Fe.2Li/c2*1-2-4-5-3-1;;;/h2*1-4H;;;/q2*-1;;2*+1.
What are the key properties of 1,1'-Dilithioferrocen?
1,1'-Dilithioferrocen has a molecular weight of 197.90 g/mol, XLogP of -4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-Dilithioferrocen is sourced from PubChem (CID 11063390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).