| CAS Number | 1864014-97-0 |
| Catalog Number | AG01AP16 |
| Chemical Name | ethyl 2-(trifluoroacetamido)prop-2-enoate |
| IUPAC Name | ethyl 2-[(2,2,2-trifluoroacetyl)amino]prop-2-enoate |
| InChI | InChI=1S/C7H8F3NO3/c1-3-14-5(12)4(2)11-6(13)7(8,9)10/h2-3H2,1H3,(H,11,13) |
| InChI Key | KQIZSSHQEYCQSJ-UHFFFAOYSA-N |
| MDL Number | MFCD29034356 |
| Molecular Formula | C7H8F3NO3 |
| Molecular Weight | 211.1385 |
| SMILES | CCOC(C(NC(C(F)(F)F)=O)=C)=O |
| Synonyms | ethyl 2-(trifluoroacetamido)prop-2-enoate,
1864014-97-0,
ZINC238853746,
FCH3983964,
EN300-233514,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.14g/mol |
| Monoisotopic Mass | 211.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number