About 1-ethoxy-2,2-difluoroethane-1,1-diol
1-ethoxy-2,2-difluoroethane-1,1-diol (PubChem CID 170694655) has the molecular formula C4H8F2O3
and a molecular weight of 142.10 g/mol. Its IUPAC name is 1-ethoxy-2,2-difluoroethane-1,1-diol.
Molecular Properties
| Compound Name | 1-ethoxy-2,2-difluoroethane-1,1-diol |
|---|
| PubChem CID | 170694655 |
|---|
| Molecular Formula | C4H8F2O3 |
|---|
| Molecular Weight | 142.10 g/mol |
|---|
| Exact Mass | 142.04 |
|---|
| IUPAC Name | 1-ethoxy-2,2-difluoroethane-1,1-diol |
|---|
| SMILES | CCOC(O)(O)C(F)F |
|---|
| InChI | InChI=1S/C4H8F2O3/c1-2-9-4(7,8)3(5)6/h3,7-8H,2H2,1H3 |
|---|
| InChIKey | OISNBXHWPCYJSK-UHFFFAOYSA-N |
|---|
| XLogP | -0.07 |
|---|
| TPSA | 49.69 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.10 |
| LogP ≤ 5 | -0.07 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
Analyze 1-ethoxy-2,2-difluoroethane-1,1-diol 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-ethoxy-2,2-difluoroethane-1,1-diol?
The IUPAC name of 1-ethoxy-2,2-difluoroethane-1,1-diol (CID 170694655) is 1-ethoxy-2,2-difluoroethane-1,1-diol.
What is the SMILES notation for 1-ethoxy-2,2-difluoroethane-1,1-diol?
The canonical SMILES for 1-ethoxy-2,2-difluoroethane-1,1-diol is CCOC(O)(O)C(F)F.
What is the InChIKey of 1-ethoxy-2,2-difluoroethane-1,1-diol?
The InChIKey is OISNBXHWPCYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O3/c1-2-9-4(7,8)3(5)6/h3,7-8H,2H2,1H3.
What are the key properties of 1-ethoxy-2,2-difluoroethane-1,1-diol?
1-ethoxy-2,2-difluoroethane-1,1-diol has a molecular weight of 142.10 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2-difluoroethane-1,1-diol is sourced from PubChem (CID 170694655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).