| CAS Number | 497103-75-0 |
| Catalog Number | AG00ILCW(AGN-PC-0S4BC8) |
| Chemical Name | tert-butyl (2R,4S)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (2R,4S)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(17)15-5-7(11(12,13)14)4-8(15)6-16/h7-8,16H,4-6H2,1-3H3/t7-,8+/m0/s1 |
| InChI Key | CRSWFECHMDRHHV-JGVFFNPUSA-N |
| MDL Number | MFCD31618006 |
| Molecular Formula | C11H18F3NO3 |
| Molecular Weight | 269.2607 |
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@@H]1CO |
| Synonyms | Tert-butyl (2R,4S)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate,
497103-75-0,
CS-0048634,
CID10934496,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.264g/mol |
| Monoisotopic Mass | 269.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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