| CAS Number | 771-52-8 |
| Catalog Number | AG01A1IM(AGN-PC-02KKAI) |
| Chemical Name | 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione |
| IUPAC Name | 1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione |
| InChI | InChI=1S/C6H4F3NO2/c7-6(8,9)3-10-4(11)1-2-5(10)12/h1-2H,3H2 |
| InChI Key | IWRBOJITNPGNMD-UHFFFAOYSA-N |
| MDL Number | MFCD11149205 |
| Molecular Formula | C6H4F3NO2 |
| Molecular Weight | 179.0967 |
| SMILES | FC(CN1C(=O)C=CC1=O)(F)F |
| Synonyms | 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione,
771-52-8,
SCHEMBL8734133,
N-2,2,2-trifluoroethylmaleimide,
N-(2,2,2-Trifluoroethyl)maleimide,
ZINC19972242,
AKOS000249709,
NE14999,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.098g/mol |
| Monoisotopic Mass | 179.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number