2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene
TL;DR: 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene (CAS 100333-45-7) is a chemical compound with molecular formula C9H11F3S and molecular weight 208.05336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3-trifluoro-7a-methyl-4,5,6,7-tetrahydro-1-benzothiophene
Also Known As: NCI60_022365, 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7-hexahydrobenzothiophene, 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene, 2,2,3-trifluoro-7a-methyl-4,5,6,7-tetrahydro-1-benzothiophene, BENZO(b)THIOPHENE, 2,4,5,6,7,7a-HEXAHYDRO-2,2,3-TRIFLUORO-7a-METHYL-
Technical Specifications
| Molecular Formula | C9H11F3S |
| Molecular Weight | 208.05336 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.05336 Da |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
| SMILES | CC12CCCCC1=C(C(S2)(F)F)F |
| InChIKey | XUQQKAFRTLETGP-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene
Property Insights of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene. With a topological polar surface area (TPSA) of 25.3 Ų, 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene has 0 hydrogen bond donor(s) and 4 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-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene?
The CAS number of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene is 100333-45-7.
What is the molecular formula of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene?
The molecular formula of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene is C9H11F3S.
What is the molecular weight of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene?
The molecular weight of 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene is 208.05336 g/mol.
Where can I buy 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene?
You can request a quote for 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene?
Yes, CoreyChem provides custom synthesis services for 2,2,3-Trifluoro-7a-methyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.