TL;DR: m-(N,N,N-Trimethylammonio)trifluoroacetophenone (CAS 156781-80-5) is a chemical compound with molecular formula C11H13F3NO+ and molecular weight 232.09492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[3-(2,2,2-trifluoroacetyl)phenyl]azanium
Also Known As: tmtfa, Tfk+, N,N,N-TMTFA, m-(N,N,N-trimethylammonio)trifluoroacetophenone, 3-(Trifluoroacetyl)phenyltrimethylaminium
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H13F3NO+ |
| Molecular Weight | 232.09492 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.09492 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)C(=O)C(F)(F)F |
| InChIKey | JIBZSTPMDKSJOX-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-(N,N,N-Trimethylammonio)trifluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, m-(N,N,N-Trimethylammonio)trifluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-(N,N,N-Trimethylammonio)trifluoroacetophenone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of m-(N,N,N-Trimethylammonio)trifluoroacetophenone is 156781-80-5.
The molecular formula of m-(N,N,N-Trimethylammonio)trifluoroacetophenone is C11H13F3NO+.
The molecular weight of m-(N,N,N-Trimethylammonio)trifluoroacetophenone is 232.09492 g/mol.
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