| CAS Number | 1414642-52-6 |
| Catalog Number | AG01BH7K(AGN-PC-0WNXBA) |
| Chemical Name | tert-Butyl n-([(2,2-difluoroethyl)carbamoyl]methyl)carbamate |
| IUPAC Name | tert-butyl N-[2-(2,2-difluoroethylamino)-2-oxoethyl]carbamate |
| InChI | InChI=1S/C9H16F2N2O3/c1-9(2,3)16-8(15)13-5-7(14)12-4-6(10)11/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15) |
| InChI Key | RKCZMAQVHULBEG-UHFFFAOYSA-N |
| MDL Number | MFCD28139545 |
| Molecular Formula | C9H16F2N2O3 |
| Molecular Weight | 238.2317 |
| SMILES | CC(OC(NCC(NCC(F)F)=O)=O)(C)C |
| Synonyms | 1414642-52-6,
tert-butyl N-{[(2,2-difluoroethyl)carbamoyl]methyl}carbamate,
tert-Butyl (2-((2,2-difluoroethyl)amino)-2-oxoethyl)carbamate,
SCHEMBL13857951,
RKCZMAQVHULBEG-UHFFFAOYSA-N,
[(2,2-difluoro-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester,
ZINC73160434,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.235g/mol |
| Monoisotopic Mass | 238.113g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number