3-Iodopropyl-1-trifluoromethanesulfonate
TL;DR: 3-Iodopropyl-1-trifluoromethanesulfonate (CAS 106114-40-3) is a chemical compound with molecular formula C4H6F3IO3S and molecular weight 317.90344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodopropyl trifluoromethanesulfonate
Also Known As: 3-Iodopropyl-1-triflate, iodopropyl triflate, 3-iodopropyl triflate, 3-Iodopropyl-1-trifluoromethanesulfonate, 3-iodopropyl trifluoromethanesulfonate
Technical Specifications
| Molecular Formula | C4H6F3IO3S |
| Molecular Weight | 317.90344 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.90344 Da |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
| SMILES | C(COS(=O)(=O)C(F)(F)F)CI |
| InChIKey | FMSOAEQMFVDTSC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Iodopropyl-1-trifluoromethanesulfonate
Property Insights of 3-Iodopropyl-1-trifluoromethanesulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodopropyl-1-trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Iodopropyl-1-trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodopropyl-1-trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Iodopropyl-1-trifluoromethanesulfonate?
The CAS number of 3-Iodopropyl-1-trifluoromethanesulfonate is 106114-40-3.
What is the molecular formula of 3-Iodopropyl-1-trifluoromethanesulfonate?
The molecular formula of 3-Iodopropyl-1-trifluoromethanesulfonate is C4H6F3IO3S.
What is the molecular weight of 3-Iodopropyl-1-trifluoromethanesulfonate?
The molecular weight of 3-Iodopropyl-1-trifluoromethanesulfonate is 317.90344 g/mol.
Where can I buy 3-Iodopropyl-1-trifluoromethanesulfonate?
You can request a quote for 3-Iodopropyl-1-trifluoromethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Iodopropyl-1-trifluoromethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 3-Iodopropyl-1-trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.