About fluoro 2-methyldec-2-enoate
fluoro 2-methyldec-2-enoate (PubChem CID 174535636) has the molecular formula C11H19FO2
and a molecular weight of 202.27 g/mol. Its IUPAC name is fluoro 2-methyldec-2-enoate.
Molecular Properties
| Compound Name | fluoro 2-methyldec-2-enoate |
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| PubChem CID | 174535636 |
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| Molecular Formula | C11H19FO2 |
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| Molecular Weight | 202.27 g/mol |
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| Exact Mass | 202.14 |
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| IUPAC Name | fluoro 2-methyldec-2-enoate |
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| SMILES | CCCCCCCC=C(C)C(=O)OF |
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| InChI | InChI=1S/C11H19FO2/c1-3-4-5-6-7-8-9-10(2)11(13)14-12/h9H,3-8H2,1-2H3 |
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| InChIKey | MRIUQWVDMOZOKZ-UHFFFAOYSA-N |
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| XLogP | 3.72 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 14 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.27 |
| LogP ≤ 5 | 3.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of fluoro 2-methyldec-2-enoate?
The IUPAC name of fluoro 2-methyldec-2-enoate (CID 174535636) is fluoro 2-methyldec-2-enoate.
What is the SMILES notation for fluoro 2-methyldec-2-enoate?
The canonical SMILES for fluoro 2-methyldec-2-enoate is CCCCCCCC=C(C)C(=O)OF.
What is the InChIKey of fluoro 2-methyldec-2-enoate?
The InChIKey is MRIUQWVDMOZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-4-5-6-7-8-9-10(2)11(13)14-12/h9H,3-8H2,1-2H3.
What are the key properties of fluoro 2-methyldec-2-enoate?
fluoro 2-methyldec-2-enoate has a molecular weight of 202.27 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyldec-2-enoate is sourced from PubChem (CID 174535636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).