| CAS Number | 1394040-58-4 |
| Catalog Number | AG01A0ED |
| Chemical Name | 4,4,4-trifluoro-N-methylbutanamide |
| IUPAC Name | 4,4,4-trifluoro-N-methylbutanamide |
| InChI | InChI=1S/C5H8F3NO/c1-9-4(10)2-3-5(6,7)8/h2-3H2,1H3,(H,9,10) |
| InChI Key | UDRDDGLGHSZMIJ-UHFFFAOYSA-N |
| MDL Number | MFCD21292042 |
| Molecular Formula | C5H8F3NO |
| Molecular Weight | 155.1183 |
| SMILES | CNC(CCC(F)(F)F)=O |
| Synonyms | 4,4,4-trifluoro-N-methylbutanamide,
1394040-58-4,
SCHEMBL9363475,
ZINC78210723,
AKOS015049823,
MCULE-6876414370,
NE46100,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.12g/mol |
| Monoisotopic Mass | 155.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number