1,1,1-Trifluoro-3,3-dimethoxypropane
TL;DR: 1,1,1-Trifluoro-3,3-dimethoxypropane (CAS 116586-94-8) is a chemical compound with molecular formula C5H9F3O2 and molecular weight 158.05547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-3,3-dimethoxypropane
Also Known As: 3,3,3-Trifluoropropanal dimethylacetal, 1,1,1-trifluoro-3,3-dimethoxypropane, 3,3-Dimethoxy-1,1,1-trifluoropropane, Propane, 1,1,1-trifluoro-3,3-dimethoxy-, 3,3,3-TRIFLUOROPROPANALDIMETHYLACETAL
Technical Specifications
| Molecular Formula | C5H9F3O2 |
| Molecular Weight | 158.05547 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.05547 Da |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
| SMILES | COC(CC(F)(F)F)OC |
| InChIKey | VMGIQGADPKWJFA-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-3,3-dimethoxypropane
Property Insights of 1,1,1-Trifluoro-3,3-dimethoxypropane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3,3-dimethoxypropane. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1,1-Trifluoro-3,3-dimethoxypropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3,3-dimethoxypropane 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 1,1,1-Trifluoro-3,3-dimethoxypropane?
The CAS number of 1,1,1-Trifluoro-3,3-dimethoxypropane is 116586-94-8.
What is the molecular formula of 1,1,1-Trifluoro-3,3-dimethoxypropane?
The molecular formula of 1,1,1-Trifluoro-3,3-dimethoxypropane is C5H9F3O2.
What is the molecular weight of 1,1,1-Trifluoro-3,3-dimethoxypropane?
The molecular weight of 1,1,1-Trifluoro-3,3-dimethoxypropane is 158.05547 g/mol.
Where can I buy 1,1,1-Trifluoro-3,3-dimethoxypropane?
You can request a quote for 1,1,1-Trifluoro-3,3-dimethoxypropane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-3,3-dimethoxypropane?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-3,3-dimethoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.