1,1,1-Trifluoro-3-octylthiopentan-2-one
TL;DR: 1,1,1-Trifluoro-3-octylthiopentan-2-one (CAS 112240-75-2) is a chemical compound with molecular formula C13H23F3OS and molecular weight 284.14218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-3-octylsulfanylpentan-2-one
Also Known As: 1,1,1-Trifluoro-3-octylthiopentan-2-one, Pentan-2-one, 1,1,1-trifluoro-3-octylthio-, 1,1,1-trifluoro-3-octylsulfanylpentan-2-one, 1,1,1-trifluoro-3-octylsulfanyl-pentan-2-one, 1,1,1-TRIFLUORO-3-(OCTYLSULFANYL)PENTAN-2-ONE
Technical Specifications
| Molecular Formula | C13H23F3OS |
| Molecular Weight | 284.14218 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 284.14218 Da |
| Heavy Atoms | 18 |
| Complexity | 229.0 |
| SMILES | CCCCCCCCSC(CC)C(=O)C(F)(F)F |
| InChIKey | PRYVXZNYPALWFJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-3-octylthiopentan-2-one
Property Insights of 1,1,1-Trifluoro-3-octylthiopentan-2-one
The XLogP value of 6.1 indicates that 1,1,1-Trifluoro-3-octylthiopentan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1,1,1-Trifluoro-3-octylthiopentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-octylthiopentan-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,1,1-Trifluoro-3-octylthiopentan-2-one?
The CAS number of 1,1,1-Trifluoro-3-octylthiopentan-2-one is 112240-75-2.
What is the molecular formula of 1,1,1-Trifluoro-3-octylthiopentan-2-one?
The molecular formula of 1,1,1-Trifluoro-3-octylthiopentan-2-one is C13H23F3OS.
What is the molecular weight of 1,1,1-Trifluoro-3-octylthiopentan-2-one?
The molecular weight of 1,1,1-Trifluoro-3-octylthiopentan-2-one is 284.14218 g/mol.
Where can I buy 1,1,1-Trifluoro-3-octylthiopentan-2-one?
You can request a quote for 1,1,1-Trifluoro-3-octylthiopentan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-3-octylthiopentan-2-one?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-3-octylthiopentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.