About (3E)-13-chloro-4-fluorotrideca-1,3-diene
(3E)-13-chloro-4-fluorotrideca-1,3-diene (PubChem CID 10922416) has the molecular formula C13H22ClF
and a molecular weight of 232.77 g/mol. Its IUPAC name is (3E)-13-chloro-4-fluorotrideca-1,3-diene.
Molecular Properties
| Compound Name | (3E)-13-chloro-4-fluorotrideca-1,3-diene |
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| PubChem CID | 10922416 |
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| Molecular Formula | C13H22ClF |
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| Molecular Weight | 232.77 g/mol |
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| Exact Mass | 232.14 |
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| IUPAC Name | (3E)-13-chloro-4-fluorotrideca-1,3-diene |
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| SMILES | C=C/C=C(/F)CCCCCCCCCCl |
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| InChI | InChI=1S/C13H22ClF/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14/h2,10H,1,3-9,11-12H2/b13-10+ |
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| InChIKey | ZFOMHJCRCLQWGN-JLHYYAGUSA-N |
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| XLogP | 5.39 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 232.77 |
| LogP ≤ 5 | 5.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (3E)-13-chloro-4-fluorotrideca-1,3-diene?
The IUPAC name of (3E)-13-chloro-4-fluorotrideca-1,3-diene (CID 10922416) is (3E)-13-chloro-4-fluorotrideca-1,3-diene.
What is the SMILES notation for (3E)-13-chloro-4-fluorotrideca-1,3-diene?
The canonical SMILES for (3E)-13-chloro-4-fluorotrideca-1,3-diene is C=C/C=C(/F)CCCCCCCCCCl.
What is the InChIKey of (3E)-13-chloro-4-fluorotrideca-1,3-diene?
The InChIKey is ZFOMHJCRCLQWGN-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H22ClF/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14/h2,10H,1,3-9,11-12H2/b13-10+.
What are the key properties of (3E)-13-chloro-4-fluorotrideca-1,3-diene?
(3E)-13-chloro-4-fluorotrideca-1,3-diene has a molecular weight of 232.77 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-13-chloro-4-fluorotrideca-1,3-diene is sourced from PubChem (CID 10922416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).