TL;DR: 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione (CAS 1023815-41-9) is a chemical compound with molecular formula C9H4F3NO3 and molecular weight 231.01433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethoxy)-1H-indole-2,3-dione
Also Known As: 5-(Trifluoromethoxy)isatin, 5-(TRIFLUOROMETHOXY)INDOLINE-2,3-DIONE, 5-trifluoromethoxyisatin, 5-(trifluoromethoxy)-1H-indole-2,3-dione, 5-trifluoromethoxy isatin
| Molecular Formula | C9H4F3NO3 |
| Molecular Weight | 231.01433 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.01433 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2 |
| InChIKey | XHAJMVPMNOBILF-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione is 1023815-41-9.
The molecular formula of 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione is C9H4F3NO3.
The molecular weight of 5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione is 231.01433 g/mol.
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