| CAS Number | 1373502-80-7 |
| Catalog Number | AG019ETS(AGN-PC-0WG4VR) |
| Chemical Name | 9,9-difluoro-2,7-diaza-spiro[4.5]decan-1-one-7-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 7,7-difluoro-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate |
| InChI | InChI=1S/C13H20F2N2O3/c1-11(2,3)20-10(19)17-7-12(4-5-16-9(12)18)6-13(14,15)8-17/h4-8H2,1-3H3,(H,16,18) |
| InChI Key | NBGABIOSBPKNEQ-UHFFFAOYSA-N |
| MDL Number | MFCD21602026 |
| Molecular Formula | C13H20F2N2O3 |
| Molecular Weight | 290.3063 |
| SMILES | CC(C)(C)OC(=O)N1CC(F)(F)CC2(CCNC2=O)C1 |
| Synonyms | 1373502-80-7,
tert-Butyl 9,9-difluoro-1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate,
MFCD21602026,
CS-0036675,
9,9-Difluoro-2,7-diaza-spiro[4.5]decan-1-one-7-carboxylic acid t-butyl ester,
9,9-Difluoro-2,7-Diaza-Spiro[4.5]Decan-1-One-7-Carboxylic Acid Tert-Butyl Ester,
9,9-Difluoro-2,7-Diaza-Spiro[4.5]Decan-1-One-7-Carboxylic Acid Tert-Butyl Ester(WX101487),
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.311g/mol |
| Monoisotopic Mass | 290.144g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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