| CAS Number | 166252-95-5 |
| Catalog Number | AG001WLC(AGN-PC-09RPC4) |
| Chemical Name | N-(But-3-enyl)-2,2,2-trifluoroacetamide |
| IUPAC Name | N-but-3-enyl-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C6H8F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2H,1,3-4H2,(H,10,11) |
| InChI Key | QGYQNVPALLKQJI-UHFFFAOYSA-N |
| MDL Number | MFCD11847836 |
| Molecular Formula | C6H8F3NO |
| Molecular Weight | 167.1290 |
| SMILES | FC(F)(F)C(=O)NCCC=C |
| Synonyms | N-(BUT-3-ENYL)-2,2,2-TRIFLUOROACETAMIDE,
166252-95-5,
SCHEMBL9430552,
MFCD11847836,
ZINC125909045,
AS-36934,
SC-29654,
Acetamide, N-3-buten-1-yl-2,2,2-trifluoro-,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.131g/mol |
| Monoisotopic Mass | 167.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number