HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5737726Generated: October 29, 2026
4-(3-fluoro-4-methoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
4-(3-Fluoro-4-methoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one · 2H-Pyrrol-2-one, 4-(3-fluoro-4-methoxybenzoyl)-5-(2-fluorophenyl)-1,5-dihydro-3-hydroxy-1-[3-(4-morpholinyl)propyl]-
https://huagongshe.com/en/chemical/5737726
Identifiers & Physical Properties
| CAS No. | 616213-08-2 |
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| Molecular formula | C25H26F2N2O5 |
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| Average molar mass | 472.5 g/mol |
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| Monoisotopic mass | 472.18097826 g/mol |
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| SMILES | COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccc2F)cc1F |
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| InChIKey | GQTXHNCKJBDKQB-XTQSDGFTSA-N |
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| PubChem CID | 5737726 |
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| EC No. | 134-857-8 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 79.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 34 |
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| Formal charge | 0 |
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| Complexity | 772 |
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| Boiling point | 655.000±55.00 °C(Press: 760.00 Torr)(predicted) |
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| Density | 1.332±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa (acidity coefficient) | 4.500±1.00(predicted) |
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Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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![4-(3-fluoro-4-methoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one molecular structure](/img/chemical/5737726.png)