| CAS Number | 1241725-68-7 |
| Catalog Number | AG00HHK0 |
| Chemical Name | 1-tert-Butyl 3-ethyl 5-fluoropiperidine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-ethyl 5-fluoropiperidine-1,3-dicarboxylate |
| InChI | InChI=1S/C13H22FNO4/c1-5-18-11(16)9-6-10(14)8-15(7-9)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3 |
| InChI Key | XNYADNWONFVCIM-UHFFFAOYSA-N |
| MDL Number | MFCD17015062 |
| Molecular Formula | C13H22FNO4 |
| Molecular Weight | 275.3165 |
| SMILES | FC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)OCC |
| Synonyms | 1-TERT-BUTYL 3-ETHYL 5-FLUOROPIPERIDINE-1,3-DICARBOXYLATE,
1241725-68-7,
MFCD17015062,
CS-W001357,
AK204537,
AS-39107,
1-tert-butyl3-ethyl5-fluoropiperidine-1,3-dicarboxylate,
5-Fluoro-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester,
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| 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 |
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Certificate of Analysis
Lot Number