| CAS Number | 664304-83-0 |
| Catalog Number | AG00FHAT(AGN-PC-0HADCW) |
| Chemical Name | 4-(trifluoroMethyl)-2-Pyrrolidinone |
| IUPAC Name | 4-(trifluoromethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C5H6F3NO/c6-5(7,8)3-1-4(10)9-2-3/h3H,1-2H2,(H,9,10) |
| InChI Key | KXAVNCLUOSJVJV-UHFFFAOYSA-N |
| MDL Number | MFCD20275329 |
| Molecular Formula | C5H6F3NO |
| Molecular Weight | 153.1024 |
| SMILES | O=C1NCC(C(F)(F)F)C1 |
| Synonyms | 4-(Trifluoromethyl)pyrrolidin-2-one,
664304-83-0,
2-Pyrrolidinone, 4-(trifluoromethyl)-,
4-(TRIFLUOROMETHYL)-2-PYRROLIDINONE,
SCHEMBL1872409,
KXAVNCLUOSJVJV-UHFFFAOYSA-N,
MFCD20275329,
AKOS024124980,
SB21928,
AS-51469,
CS-0051128,
KS-00000892,
F2147-2972,
Z2028214374,
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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 | 0.6 |
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Certificate of Analysis
Lot Number