| CAS Number | 1021235-22-2 |
| Catalog Number | AG019NHW(AGN-PC-0WO3C7) |
| Chemical Name | methyl 2-[(2,2,2-trifluoroethyl)amino]acetate |
| IUPAC Name | methyl 2-(2,2,2-trifluoroethylamino)acetate |
| InChI | InChI=1S/C5H8F3NO2/c1-11-4(10)2-9-3-5(6,7)8/h9H,2-3H2,1H3 |
| InChI Key | MGVKXMPIGPKWQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11154790 |
| Molecular Formula | C5H8F3NO2 |
| Molecular Weight | 171.1177 |
| SMILES | COC(CNCC(F)(F)F)=O |
| Synonyms | methyl 2-[(2,2,2-trifluoroethyl)amino]acetate,
1021235-22-2,
methyl [(2,2,2-trifluoroethyl)amino]acetate,
AC1Q447N,
CTK6J2651,
ZINC20070385,
AKOS000256762,
NE15011,
BB 0241740,
EN300-40471,
(2,2,2-Trifluoro-ethylamino)-acetic acid methyl ester,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.119g/mol |
| Monoisotopic Mass | 171.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number