HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006262Generated: October 25, 2026
(2r,3s)-2-(4-Cyano-3-(trifluoromethyl)phenylamino)-3-hydroxybutanoic acid
https://huagongshe.com/en/chemical/67006262
Identifiers & Physical Properties
| Molecular formula | C12H11F3N2O3 |
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| Average molar mass | 288.22 g/mol |
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| Monoisotopic mass | 288.0721767 g/mol |
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| SMILES | C[C@H](O)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O |
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| InChIKey | KIXUDDJBUMRCHZ-QUBYGPBYSA-N |
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| PubChem CID | 67006262 |
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Chemical & Physical Properties
| XLogP | 1.9 |
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| Topological polar surface area | 93.4 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 404 |
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