TL;DR: [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine (CAS 1159171-31-9) is a chemical compound with molecular formula C9H6F6N2O and molecular weight 272.03842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
Also Known As: 3,5-Bis(trifluoromethyl)benzamidoxime, N'-Hydroxy-3,5-bis(trifluoromethyl)benzimidamide, 3,5-Bis(trifluoromethyl)benzamidoxime, 97%, [3,5-bis(trifluoromethyl)phenyl](hydroxyimino)methylamine, N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
| Molecular Formula | C9H6F6N2O |
| Molecular Weight | 272.03842 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.03842 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C(=N\O)/N |
| InChIKey | GGAPMNUHESBFNK-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine. With a topological polar surface area (TPSA) of 58.6 Ų, [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine is 1159171-31-9.
The molecular formula of [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine is C9H6F6N2O.
The molecular weight of [3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine is 272.03842 g/mol.
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