| CAS Number | 1303974-40-4 |
| Catalog Number | AG01BV33 |
| Chemical Name | 1-tert-butyl 3-ethyl 4-fluoropiperidine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-ethyl 4-fluoropiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C13H22FNO4/c1-5-18-11(16)9-8-15(7-6-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3 |
| InChI Key | LVHRATXZLPYMHL-UHFFFAOYSA-N |
| MDL Number | MFCD18909843 |
| Molecular Formula | C13H22FNO4 |
| Molecular Weight | 275.3165 |
| SMILES | CCOC(C1C(F)CCN(C(OC(C)(C)C)=O)C1)=O |
| Synonyms | 1-tert-butyl 3-ethyl 4-fluoropiperidine-1,3-dicarboxylate, Mixture of diastereomers,
1303974-40-4,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.32g/mol |
| Monoisotopic Mass | 275.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number