About 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene
5-diazo-1,2,3-trifluorocyclohexa-1,3-diene (PubChem CID 86607487) has the molecular formula C6H3F3N2
and a molecular weight of 160.10 g/mol. Its IUPAC name is 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene.
Molecular Properties
| Compound Name | 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene |
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| PubChem CID | 86607487 |
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| Molecular Formula | C6H3F3N2 |
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| Molecular Weight | 160.10 g/mol |
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| Exact Mass | 160.02 |
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| IUPAC Name | 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene |
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| SMILES | [N-]=[N+]=C1C=C(F)C(F)=C(F)C1 |
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| InChI | InChI=1S/C6H3F3N2/c7-4-1-3(11-10)2-5(8)6(4)9/h1H,2H2 |
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| InChIKey | GILJYDFPKGMYDW-UHFFFAOYSA-N |
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| XLogP | 2.06 |
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| TPSA | 36.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 160.10 |
| LogP ≤ 5 | 2.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene?
The IUPAC name of 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene (CID 86607487) is 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene?
The canonical SMILES for 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene is [N-]=[N+]=C1C=C(F)C(F)=C(F)C1.
What is the InChIKey of 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene?
The InChIKey is GILJYDFPKGMYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2/c7-4-1-3(11-10)2-5(8)6(4)9/h1H,2H2.
What are the key properties of 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene?
5-diazo-1,2,3-trifluorocyclohexa-1,3-diene has a molecular weight of 160.10 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-1,2,3-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 86607487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).