| CAS Number | 98651-71-9 |
| Catalog Number | AG01DWXU(AGN-PC-0LCJRZ) |
| Chemical Name | N-(2,4-Difluorophenyl)-2,2,2-trifluoroacetamide |
| IUPAC Name | N-(2,4-difluorophenyl)-2,2,2-trifluoroacetamide |
| InChI | InChI=1S/C8H4F5NO/c9-4-1-2-6(5(10)3-4)14-7(15)8(11,12)13/h1-3H,(H,14,15) |
| InChI Key | KFBSEUVNGYXFLB-UHFFFAOYSA-N |
| MDL Number | MFCD00751600 |
| Molecular Formula | C8H4F5NO |
| Molecular Weight | 225.1155 |
| SMILES | c1(ccc(cc1F)F)NC(=O)C(F)(F)F |
| Synonyms | N-(2,4-difluorophenyl)-2,2,2-trifluoroacetamide,
AC1NCV42,
SCHEMBL9359721,
KFBSEUVNGYXFLB-UHFFFAOYSA-N,
trifluoroacetyl-2,4-difluoroaniline,
ZINC3093872,
AKOS003847286,
98651-71-9,
CID4517860,
N-(2,4-difluorophenyl)-2,2,2-trifluoro-acetamide,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.118g/mol |
| Monoisotopic Mass | 225.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number