| CAS Number | 141519-28-0 |
| Catalog Number | AG019RU9(AGN-PC-0BFCEM) |
| Chemical Name | 5-(Trifluoromethyl)-2-pyrrolidinone |
| IUPAC Name | 5-(trifluoromethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10) |
| InChI Key | BKONNPBZAYHNOV-UHFFFAOYSA-N |
| MDL Number | MFCD17267574 |
| Molecular Formula | C5H6F3NO |
| Molecular Weight | 153.1024 |
| SMILES | O=C1NC(C(F)(F)F)CC1 |
| Synonyms | 5-(trifluoromethyl)pyrrolidin-2-one,
141519-28-0,
5-Trifluoromethyl-pyrrolidin-2-one,
(S)-5-(Trifluoromethyl)pyrrolidin-2-one,
SCHEMBL9127494,
5-trifluoromethylpyrrolidin-2-one,
DTXSID90576668,
BKONNPBZAYHNOV-UHFFFAOYSA-N,
5-Trifluoromethylpyrro lidin-2-one,
AKOS025212111,
NE59045,
5-(TRIFLUOROMETHYL)-2-PYRROLIDINONE,
EN300-90523,
(5S)-(-)-5-(Trifluoromethyl)-2-pyrrolidinone, 97%,
(R)-5-(Trifluoromethyl)pyrrolidin-2-one,
1287211-10-2,
1311255-07-8,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.104g/mol |
| Monoisotopic Mass | 153.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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