About 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine (PubChem CID 105201183) has the molecular formula C11H13FN2O
and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine.
Molecular Properties
| Compound Name | 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine |
| PubChem CID | 105201183 |
| Molecular Formula | C11H13FN2O |
| Molecular Weight | 208.24 g/mol |
| Exact Mass | 208.10 |
| IUPAC Name | 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine |
| SMILES | CCC(NN)c1cc2cc(F)ccc2o1 |
| InChI | InChI=1S/C11H13FN2O/c1-2-9(14-13)11-6-7-5-8(12)3-4-10(7)15-11/h3-6,9,14H,2,13H2,1H3 |
| InChIKey | JWVHLRWALAWRGV-UHFFFAOYSA-N |
| XLogP | 2.49 |
| TPSA | 51.19 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 208.24 |
| LogP ≤ 5 | 2.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine (CID 105201183) is 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine is CCC(NN)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine?
The InChIKey is JWVHLRWALAWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-2-9(14-13)11-6-7-5-8(12)3-4-10(7)15-11/h3-6,9,14H,2,13H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine?
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine has a molecular weight of 208.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine is sourced from PubChem (CID 105201183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).