HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68917540Generated: November 1, 2026
3-(3,4-Difluorophenyl)-5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylic acid dimethyl ester
https://huagongshe.com/en/chemical/68917540
Identifiers & Physical Properties
| Molecular formula | C22H17F2NO4 |
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| Average molar mass | 397.4 g/mol |
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| Monoisotopic mass | 397.11256435 g/mol |
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| SMILES | COC(=O)c1c(C(=O)OC)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1C2 |
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| InChIKey | AUYFJBWBEAGRIG-UHFFFAOYSA-N |
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| PubChem CID | 68917540 |
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Chemical & Physical Properties
| XLogP | 3.9 |
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| Topological polar surface area | 57.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 632 |
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![3-(3,4-Difluorophenyl)-5,10-dihydropyrrolo[1,2-b]isoquinoline-1,2-dicarboxylic acid dimethyl ester molecular structure](/img/chemical/68917540.png)