TL;DR: 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane (CAS 1185074-97-8) is a chemical compound with molecular formula C8H10BrCl3 and molecular weight 289.90314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane
Also Known As: 6-bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane
| Molecular Formula | C8H10BrCl3 |
| Molecular Weight | 289.90314 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.90314 Da |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
| SMILES | C1CC2C(C(C1)C2Br)C(Cl)(Cl)Cl |
| InChIKey | CWFHOFFNQZOCSF-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane is 1185074-97-8.
The molecular formula of 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane is C8H10BrCl3.
The molecular weight of 6-Bromo-7-(trichloromethyl)bicyclo[3.1.1]heptane is 289.90314 g/mol.
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