About N-diazocarbamoyl fluoride
N-diazocarbamoyl fluoride (PubChem CID 71358879) has the molecular formula CFN3O
and a molecular weight of 89.03 g/mol. Its IUPAC name is N-diazocarbamoyl fluoride.
Molecular Properties
| Compound Name | N-diazocarbamoyl fluoride |
|---|
| PubChem CID | 71358879 |
|---|
| Molecular Formula | CFN3O |
|---|
| Molecular Weight | 89.03 g/mol |
|---|
| Exact Mass | 89.00 |
|---|
| IUPAC Name | N-diazocarbamoyl fluoride |
|---|
| SMILES | [N-]=[N+]=NC(=O)F |
|---|
| InChI | InChI=1S/CFN3O/c2-1(6)4-5-3 |
|---|
| InChIKey | NTMFECZLGUAZRI-UHFFFAOYSA-N |
|---|
| XLogP | 1.39 |
|---|
| TPSA | 65.83 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 89.03 |
| LogP ≤ 5 | 1.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'} |
|---|
Analyze N-diazocarbamoyl fluoride 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 N-diazocarbamoyl fluoride?
The IUPAC name of N-diazocarbamoyl fluoride (CID 71358879) is N-diazocarbamoyl fluoride.
What is the SMILES notation for N-diazocarbamoyl fluoride?
The canonical SMILES for N-diazocarbamoyl fluoride is [N-]=[N+]=NC(=O)F.
What is the InChIKey of N-diazocarbamoyl fluoride?
The InChIKey is NTMFECZLGUAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/CFN3O/c2-1(6)4-5-3.
What are the key properties of N-diazocarbamoyl fluoride?
N-diazocarbamoyl fluoride has a molecular weight of 89.03 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazocarbamoyl fluoride is sourced from PubChem (CID 71358879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).