About 4-fluoro-2,3-dioxopentanal
4-fluoro-2,3-dioxopentanal (PubChem CID 151417103) has the molecular formula C5H5FO3
and a molecular weight of 132.09 g/mol. Its IUPAC name is 4-fluoro-2,3-dioxopentanal.
Molecular Properties
| Compound Name | 4-fluoro-2,3-dioxopentanal |
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| PubChem CID | 151417103 |
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| Molecular Formula | C5H5FO3 |
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| Molecular Weight | 132.09 g/mol |
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| Exact Mass | 132.02 |
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| IUPAC Name | 4-fluoro-2,3-dioxopentanal |
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| SMILES | CC(F)C(=O)C(=O)C=O |
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| InChI | InChI=1S/C5H5FO3/c1-3(6)5(9)4(8)2-7/h2-3H,1H3 |
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| InChIKey | OZTGQTCJDCWWHN-UHFFFAOYSA-N |
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| XLogP | -0.32 |
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| TPSA | 51.21 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 132.09 |
| LogP ≤ 5 | -0.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-fluoro-2,3-dioxopentanal?
The IUPAC name of 4-fluoro-2,3-dioxopentanal (CID 151417103) is 4-fluoro-2,3-dioxopentanal.
What is the SMILES notation for 4-fluoro-2,3-dioxopentanal?
The canonical SMILES for 4-fluoro-2,3-dioxopentanal is CC(F)C(=O)C(=O)C=O.
What is the InChIKey of 4-fluoro-2,3-dioxopentanal?
The InChIKey is OZTGQTCJDCWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO3/c1-3(6)5(9)4(8)2-7/h2-3H,1H3.
What are the key properties of 4-fluoro-2,3-dioxopentanal?
4-fluoro-2,3-dioxopentanal has a molecular weight of 132.09 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dioxopentanal is sourced from PubChem (CID 151417103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).