6-{(2R,5R)-2-Methyl-5-[(1R)-2,2,2-Trifluoro-1-Hydroxyethyl]-1-Pyrrolidinyl}-4-(Trifluoromethyl)-2(1H)-Quinolinone
Properties
Property | Value |
---|---|
Formula | C17H16F6N2O2 |
IUPAC Name | 6-[(2r,5r)-2-methyl-5-[(1r)-2,2,2-trifluoro-1-hydroxy-ethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1h-quinolin-2-one |
Molecular Mass | 394.312 g·mol−1 |
Heat of Formation | -1559.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.82 ± 1.08 D |
Volume | 404.6 Å 3 |
Surface Area | 337.05 Å 2 |
HOMO Energy | -8.75 ± 0.55 eV |
LUMO Energy | -1.70 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | HWLLYFXDDGGHOE-BCSUUIJWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |