About magnesium;1,2-difluoro-4-methanidylbenzene;bromide
magnesium;1,2-difluoro-4-methanidylbenzene;bromide (PubChem CID 6093575) has the molecular formula C7H5BrF2Mg
and a molecular weight of 231.32 g/mol. Its IUPAC name is magnesium;1,2-difluoro-4-methanidylbenzene;bromide.
Molecular Properties
| Compound Name | magnesium;1,2-difluoro-4-methanidylbenzene;bromide |
|---|
| PubChem CID | 6093575 |
|---|
| Molecular Formula | C7H5BrF2Mg |
|---|
| Molecular Weight | 231.32 g/mol |
|---|
| Exact Mass | 229.94 |
|---|
| IUPAC Name | magnesium;1,2-difluoro-4-methanidylbenzene;bromide |
|---|
| SMILES | [Br-].[CH2-]c1ccc(F)c(F)c1.[Mg+2] |
|---|
| InChI | InChI=1S/C7H5F2.BrH.Mg/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1 |
|---|
| InChIKey | QJKWPOKTIICNDG-UHFFFAOYSA-M |
|---|
| XLogP | -1.23 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 231.32 |
| LogP ≤ 5 | -1.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze magnesium;1,2-difluoro-4-methanidylbenzene;bromide 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 magnesium;1,2-difluoro-4-methanidylbenzene;bromide?
The IUPAC name of magnesium;1,2-difluoro-4-methanidylbenzene;bromide (CID 6093575) is magnesium;1,2-difluoro-4-methanidylbenzene;bromide.
What is the SMILES notation for magnesium;1,2-difluoro-4-methanidylbenzene;bromide?
The canonical SMILES for magnesium;1,2-difluoro-4-methanidylbenzene;bromide is [Br-].[CH2-]c1ccc(F)c(F)c1.[Mg+2].
What is the InChIKey of magnesium;1,2-difluoro-4-methanidylbenzene;bromide?
The InChIKey is QJKWPOKTIICNDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F2.BrH.Mg/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2-difluoro-4-methanidylbenzene;bromide?
magnesium;1,2-difluoro-4-methanidylbenzene;bromide has a molecular weight of 231.32 g/mol, XLogP of -1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-difluoro-4-methanidylbenzene;bromide is sourced from PubChem (CID 6093575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).