| CAS Number | 1183123-01-4 |
| Catalog Number | AG01C31E |
| Chemical Name | Tert-butyl 2-[(2,2,2-trifluoroethyl)amino]acetate |
| IUPAC Name | tert-butyl 2-(2,2,2-trifluoroethylamino)acetate |
| InChI | InChI=1S/C8H14F3NO2/c1-7(2,3)14-6(13)4-12-5-8(9,10)11/h12H,4-5H2,1-3H3 |
| InChI Key | SRTAWWMBAQECIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12148714 |
| Molecular Formula | C8H14F3NO2 |
| Molecular Weight | 213.1975 |
| SMILES | CC(OC(CNCC(F)(F)F)=O)(C)C |
| Synonyms | tert-butyl 2-[(2,2,2-trifluoroethyl)amino]acetate,
1183123-01-4,
SCHEMBL15391601,
SRTAWWMBAQECIZ-UHFFFAOYSA-N,
ZINC37394238,
AKOS009051161,
tert-butyl 2-(2,2,2-trifluoroethylamino)acetate,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.2g/mol |
| Monoisotopic Mass | 213.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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