| CAS Number | 1461708-71-3 |
| Catalog Number | AG01A5W9 |
| Chemical Name | ethyl 3-(N-ethyl-2,2,2-trifluoroacetamido)propanoate |
| IUPAC Name | ethyl 3-[ethyl-(2,2,2-trifluoroacetyl)amino]propanoate |
| InChI | InChI=1S/C9H14F3NO3/c1-3-13(8(15)9(10,11)12)6-5-7(14)16-4-2/h3-6H2,1-2H3 |
| InChI Key | DTFFUXGWDWTFLU-UHFFFAOYSA-N |
| MDL Number | MFCD25371629 |
| Molecular Formula | C9H14F3NO3 |
| Molecular Weight | 241.2076 |
| SMILES | CCOC(CCN(C(C(F)(F)F)=O)CC)=O |
| Synonyms | ethyl 3-(N-ethyl-2,2,2-trifluoroacetamido)propanoate,
1461708-71-3,
ZINC71636256,
AKOS016584793,
NE52788,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.21g/mol |
| Monoisotopic Mass | 241.093g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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