HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006609Generated: November 4, 2026
methyl 2-fluoro-4-((1S,4S)-5-(3-(trifluoromethyl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)benzoate
https://huagongshe.com/en/chemical/67006609
Identifiers & Physical Properties
| Molecular formula | C20H18F4N2O2 |
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| Average molar mass | 394.4 g/mol |
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| Monoisotopic mass | 394.13044047 g/mol |
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| SMILES | COC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)cc1F |
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| InChIKey | WXVIZZYURAMJJU-HOTGVXAUSA-N |
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| PubChem CID | 67006609 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 32.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 587 |
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![methyl 2-fluoro-4-((1S,4S)-5-(3-(trifluoromethyl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)benzoate molecular structure](/img/chemical/67006609.png)