HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10408557Generated: November 1, 2026
1-(3-{[7-Propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)azepan-2-one
https://huagongshe.com/en/chemical/10408557
Identifiers & Physical Properties
| Molecular formula | C20H25F3N2O3 |
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| Average molar mass | 398.4 g/mol |
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| Monoisotopic mass | 398.18172715 g/mol |
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| SMILES | CCCc1c(OCCCN2CCCCCC2=O)ccc2c(C(F)(F)F)noc12 |
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| InChIKey | UXISOJQZFINLGV-UHFFFAOYSA-N |
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| PubChem CID | 10408557 |
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Chemical & Physical Properties
| XLogP | 4.6 |
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| Topological polar surface area | 55.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 517 |
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![1-(3-{[7-Propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)azepan-2-one molecular structure](/img/chemical/10408557.png)