HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12972728Generated: October 27, 2026
4,4,4-Trifluoro-1-(3-chloro-4-methoxylphenyl)-1,3-butanedione
https://huagongshe.com/en/chemical/12972728
Identifiers & Physical Properties
| Molecular formula | C11H8ClF3O3 |
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| Average molar mass | 280.63 g/mol |
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| Monoisotopic mass | 280.0114063 g/mol |
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| SMILES | COc1ccc(C(=O)CC(=O)C(F)(F)F)cc1Cl |
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| InChIKey | YRBCRBDLINKAFS-UHFFFAOYSA-N |
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| PubChem CID | 12972728 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 43.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 330 |
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