| CAS Number | 1356339-26-8 |
| Catalog Number | AG00HUB2(AGN-PC-0WA4U4) |
| Chemical Name | 1-tert-Butyl 3-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-ethyl 5,5-difluoropiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C13H21F2NO4/c1-5-19-10(17)9-6-13(14,15)8-16(7-9)11(18)20-12(2,3)4/h9H,5-8H2,1-4H3 |
| InChI Key | WSFZFIOMRZLJIA-UHFFFAOYSA-N |
| MDL Number | MFCD21601880 |
| Molecular Formula | C13H21F2NO4 |
| Molecular Weight | 293.3069 |
| SMILES | CCOC(=O)C1CC(CN(C1)C(=O)OC(C)(C)C)(F)F |
| Synonyms | 1-TERT-BUTYL 3-ETHYL 5,5-DIFLUOROPIPERIDINE-1,3-DICARBOXYLATE,
1356339-26-8,
DTXSID40857252,
MFCD21601880,
AKOS025312363,
CS-W001421,
AS-39113,
PC430162,
1-Boc-3-Ethyl 5,5-difluoropiperidine-3-carboxylate,
1-tert-butyl3-ethyl5,5-difluoropiperidine-1,3-dicarboxylate,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.311g/mol |
| Monoisotopic Mass | 293.144g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number