About [(E)-1-fluoroprop-1-enyl] methyl carbonate
[(E)-1-fluoroprop-1-enyl] methyl carbonate (PubChem CID 89437481) has the molecular formula C5H7FO3
and a molecular weight of 134.11 g/mol. Its IUPAC name is [(E)-1-fluoroprop-1-enyl] methyl carbonate.
Molecular Properties
| Compound Name | [(E)-1-fluoroprop-1-enyl] methyl carbonate |
|---|
| PubChem CID | 89437481 |
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| Molecular Formula | C5H7FO3 |
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| Molecular Weight | 134.11 g/mol |
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| Exact Mass | 134.04 |
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| IUPAC Name | [(E)-1-fluoroprop-1-enyl] methyl carbonate |
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| SMILES | C/C=C(/F)OC(=O)OC |
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| InChI | InChI=1S/C5H7FO3/c1-3-4(6)9-5(7)8-2/h3H,1-2H3/b4-3- |
|---|
| InChIKey | QOUXZTCOKVNIPT-ARJAWSKDSA-N |
|---|
| XLogP | 1.60 |
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| TPSA | 35.53 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 1 |
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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 | 134.11 |
| LogP ≤ 5 | 1.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of [(E)-1-fluoroprop-1-enyl] methyl carbonate?
The IUPAC name of [(E)-1-fluoroprop-1-enyl] methyl carbonate (CID 89437481) is [(E)-1-fluoroprop-1-enyl] methyl carbonate.
What is the SMILES notation for [(E)-1-fluoroprop-1-enyl] methyl carbonate?
The canonical SMILES for [(E)-1-fluoroprop-1-enyl] methyl carbonate is C/C=C(/F)OC(=O)OC.
What is the InChIKey of [(E)-1-fluoroprop-1-enyl] methyl carbonate?
The InChIKey is QOUXZTCOKVNIPT-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7FO3/c1-3-4(6)9-5(7)8-2/h3H,1-2H3/b4-3-.
What are the key properties of [(E)-1-fluoroprop-1-enyl] methyl carbonate?
[(E)-1-fluoroprop-1-enyl] methyl carbonate has a molecular weight of 134.11 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluoroprop-1-enyl] methyl carbonate is sourced from PubChem (CID 89437481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).