2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene
TL;DR: 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene (CAS 100333-46-8) is a chemical compound with molecular formula C9H12F4S and molecular weight 228.05959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3-tetrafluoro-3a-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene
Also Known As: 2,2,3,3-tetrafluoro-3a-methyloctahydro-1-benzothiophene, 2,2,3,3-Tetrafluoro-3a-methyl-2,3,4,5,6,7-hexahydro-benzothiophene, 2,2,3,3-tetrafluoro-3a-methyl-5,6,7,7a-tetrahydro-4H-1-benzothiophene, BENZO(b)THIOPHENE, OCTAHYDRO-3a-METHYL-2,2,3,3-TETRAFLUORO-, 2,2,3,3-tetrafluoro-3a-methyl-octahydro-1-benzothiophene
Technical Specifications
| Molecular Formula | C9H12F4S |
| Molecular Weight | 228.05959 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.05959 Da |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
| SMILES | CC12CCCCC1SC(C2(F)F)(F)F |
| InChIKey | PWPAHHYVPWMKQF-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene
Property Insights of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene
The XLogP value of 4.2 indicates that 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene?
The CAS number of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene is 100333-46-8.
What is the molecular formula of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene?
The molecular formula of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene is C9H12F4S.
What is the molecular weight of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene?
The molecular weight of 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene is 228.05959 g/mol.
Where can I buy 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene?
You can request a quote for 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene?
Yes, CoreyChem provides custom synthesis services for 2,2,3,3-Tetrafluoro-3a-methyloctahydro-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.