TL;DR: Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime (CAS 101517-12-8) is a chemical compound with molecular formula C10H15F6NO2 and molecular weight 295.1007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-3-[(E)-hydroxyiminomethyl]-2-(trifluoromethyl)octan-2-ol
Also Known As: HEPTANAL, 2-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXY-2-PROPYL)-, OXIME, 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)heptanal oxime, Enanthal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime, Heptaldehyde, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime, 2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethylethyl)-1-heptaldehyde oxime
| Molecular Formula | C10H15F6NO2 |
| Molecular Weight | 295.1007 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1007 Da |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
| SMILES | CCCCCC(/C=N/O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | WNWKQYWIGDCGGE-UBKPWBPPSA-N |
The XLogP value of 3.9 indicates that Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime is 101517-12-8.
The molecular formula of Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime is C10H15F6NO2.
The molecular weight of Heptanal, 2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-, oxime is 295.1007 g/mol.
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