About prop-2-enyl hypofluorite
prop-2-enyl hypofluorite (PubChem CID 21254194) has the molecular formula C3H5FO
and a molecular weight of 76.07 g/mol. Its IUPAC name is prop-2-enyl hypofluorite.
Molecular Properties
| Compound Name | prop-2-enyl hypofluorite |
|---|
| PubChem CID | 21254194 |
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| Molecular Formula | C3H5FO |
|---|
| Molecular Weight | 76.07 g/mol |
|---|
| Exact Mass | 76.03 |
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| IUPAC Name | prop-2-enyl hypofluorite |
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| SMILES | C=CCOF |
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| InChI | InChI=1S/C3H5FO/c1-2-3-5-4/h2H,1,3H2 |
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| InChIKey | SHGFAWFIWHMQNM-UHFFFAOYSA-N |
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| XLogP | 1.07 |
|---|
| TPSA | 9.23 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 76.07 |
| LogP ≤ 5 | 1.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of prop-2-enyl hypofluorite?
The IUPAC name of prop-2-enyl hypofluorite (CID 21254194) is prop-2-enyl hypofluorite.
What is the SMILES notation for prop-2-enyl hypofluorite?
The canonical SMILES for prop-2-enyl hypofluorite is C=CCOF.
What is the InChIKey of prop-2-enyl hypofluorite?
The InChIKey is SHGFAWFIWHMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO/c1-2-3-5-4/h2H,1,3H2.
What are the key properties of prop-2-enyl hypofluorite?
prop-2-enyl hypofluorite has a molecular weight of 76.07 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl hypofluorite is sourced from PubChem (CID 21254194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).