TL;DR: Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- (CAS 101931-91-3) is a chemical compound with molecular formula C10H12F4S and molecular weight 240.05959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6Z)-2,2,3,3-tetrafluoro-3a,4,5,8,9,9a-hexahydrocycloocta[b]thiophene
Also Known As: Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro-, 1-Thio-2,2,3,3-tetrafluoro-2,3,4,5,8,9,10,11-octahydrocycloocta(b)thiophene, (6Z)-2,2,3,3-tetrafluoro-3a,4,5,8,9,9a-hexahydrocycloocta[b]thiophene, 2,2,3,3-tetrafluoro-2H,3H,3aH,4H,5H,8H,9H,9aH-cycloocta[b]thiophene, 2,3,3a,4,5,8,9,9a-Octahydro-2,2,3,3-tetrafluorocycloocta[b]thiophene
| Molecular Formula | C10H12F4S |
| Molecular Weight | 240.05959 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.05959 Da |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| SMILES | C/1CC2C(CC/C=C1)SC(C2(F)F)(F)F |
| InChIKey | CACOAUUEYJRRHA-UPHRSURJSA-N |
The XLogP value of 4.3 indicates that Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- 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 Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- is 101931-91-3.
The molecular formula of Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- is C10H12F4S.
The molecular weight of Cycloocta(b)thiophene, 2,3,3a,4,5,8,9,9a-octahydro-2,2,3,3-tetrafluoro- is 240.05959 g/mol.
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