TL;DR: 4-Methoxy-2-(trifluoromethyl)benzaldehyde (CAS 132927-09-4) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.03981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxy-2-(trifluoromethyl)benzaldehyde
Also Known As: 4-methoxy-2-(trifluoromethyl)benzaldehyde, 4-Formyl-3-(trifluoromethyl)anisole, 4-Methoxy-2-trifluoromethylbenzaldehyde, 2-Formyl-5-methoxybenzotrifluoride, Benzaldehyde, 4-methoxy-2-(trifluoromethyl)-
| Molecular Formula | C9H7F3O2 |
| Molecular Weight | 204.03981 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.03981 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | COC1=CC(=C(C=C1)C=O)C(F)(F)F |
| InChIKey | BVPVUMRIGHMFNV-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2-(trifluoromethyl)benzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methoxy-2-(trifluoromethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2-(trifluoromethyl)benzaldehyde has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methoxy-2-(trifluoromethyl)benzaldehyde is 132927-09-4.
The molecular formula of 4-Methoxy-2-(trifluoromethyl)benzaldehyde is C9H7F3O2.
The molecular weight of 4-Methoxy-2-(trifluoromethyl)benzaldehyde is 204.03981 g/mol.
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