| CAS Number | 1356338-74-3 |
| Catalog Number | AG00HUB1(AGN-PC-0WCJOH) |
| Chemical Name | 1-tert-Butyl 3-ethyl 5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-ethyl 5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C13H19F2NO5/c1-5-20-10(18)8-6-16(7-13(14,15)9(8)17)11(19)21-12(2,3)4/h8H,5-7H2,1-4H3 |
| InChI Key | AUERBRVZUVQZFY-UHFFFAOYSA-N |
| MDL Number | MFCD21601893 |
| Molecular Formula | C13H19F2NO5 |
| Molecular Weight | 307.2905 |
| SMILES | O=C(N1CC(C(OCC)=O)C(C(F)(F)C1)=O)OC(C)(C)C |
| Synonyms | 1-TERT-BUTYL 3-ETHYL 5,5-DIFLUORO-4-OXOPIPERIDINE-1,3-DICARBOXYLATE,
1356338-74-3,
MFCD21601893,
AKOS025312362,
CS-W001419,
PC430165,
1-t-Butyl 3-ethyl 5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate,
1-tert-butyl3-ethyl5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate,
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| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.294g/mol |
| Monoisotopic Mass | 307.123g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number