TL;DR: {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride (CAS 101803-61-6) is a chemical compound with molecular formula C10H15FO3S and molecular weight 234.07259 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl fluoride
Also Known As: {7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride, BAS 00417120, [2.2.1]heptane-1-methansulfonyl fluoride, 7,7-dimethyl-2-oxo-Bicyclo, F0797-0068, (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl fluoride
| Molecular Formula | C10H15FO3S |
| Molecular Weight | 234.07259 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.07259 Da |
| Heavy Atoms | 15 |
| Complexity | 407.0 |
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)F)C |
| InChIKey | WIVCVRYYFCZLCO-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride. With a topological polar surface area (TPSA) of 59.6 Ų, {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride 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 {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride is 101803-61-6.
The molecular formula of {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride is C10H15FO3S.
The molecular weight of {7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride is 234.07259 g/mol.
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