| CAS Number | 1231755-15-9 |
| Catalog Number | AG01DHUH(AGN-PC-0JI8MH) |
| Chemical Name | Tert-butyl (2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)carbamate |
| IUPAC Name | tert-butyl N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamate |
| InChI | InChI=1S/C9H15F3N2O3/c1-8(2,3)17-7(16)13-4-6(15)14-5-9(10,11)12/h4-5H2,1-3H3,(H,13,16)(H,14,15) |
| InChI Key | ZBMUNGIIVQNAFS-UHFFFAOYSA-N |
| MDL Number | MFCD24391841 |
| Molecular Formula | C9H15F3N2O3 |
| Molecular Weight | 256.2222 |
| SMILES | O=C(OC(C)(C)C)NCC(NCC(F)(F)F)=O |
| Synonyms | tert-butyl N-{[(2,2,2-trifluoroethyl)carbamoyl]methyl}carbamate,
1231755-15-9,
SCHEMBL1289840,
ZBMUNGIIVQNAFS-UHFFFAOYSA-N,
ZINC67144963,
AS-71799,
tert-butyl (2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)carbamate,
[(2,2,2-trifluoro-ethylcarbamoyl)-methyl]-carbamic acid ter-butyl ester,
[(2,2,2-trifluoro-ethylcarbamoyl)-methyl]-carbamic acid tert-butyl ester,
N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]carbamic acid 1,1-dimethylethyl ester,
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| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.103477g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.22g/mol |
| Monoisotopic Mass | 256.103477g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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