| CAS Number | 1781668-43-6 |
| Catalog Number | AG01DX33(AGN-PC-3H45DI) |
| Chemical Name | TERT-BUTYL 3-OXO-4-((2,2,2-TRIFLUOROACETAMIDO)METHYL)PYRROLIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 3-oxo-4-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H17F3N2O4/c1-11(2,3)21-10(20)17-5-7(8(18)6-17)4-16-9(19)12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19) |
| InChI Key | DYDNYIBUMYHKFO-UHFFFAOYSA-N |
| MDL Number | MFCD28016289 |
| Molecular Formula | C12H17F3N2O4 |
| Molecular Weight | 310.2696 |
| SMILES | O=C1CN(CC1CNC(=O)C(F)(F)F)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 3-oxo-4-((2,2,2-trifluoroacetamido)methyl)pyrrolidine-1-carboxylate,
1781668-43-6,
343582-05-8,
MFCD28016289,
AKOS023846679,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.273g/mol |
| Monoisotopic Mass | 310.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number