1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane
TL;DR: 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane (CAS 69066-98-4) is a chemical compound with molecular formula C3F7IO and molecular weight 311.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2-tetrafluoro-2-iodo-2-(trifluoromethoxy)ethane
Also Known As: 1-Iodo-1-(trifluoromethoxy)tetrafluoroethane, 1,1,1,2-tetrafluoro-2-iodo-2-(trifluoromethoxy)ethane, 4-methoxybiphenylboronicacid, 1-iodoperfluoro-1-methoxyethane, 1-Iodotetrafluoroethyl trifluoromethyl ether
| Molecular Formula | C3F7IO |
|---|---|
| Molecular Weight | 311.89 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.8882 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 69066-98-4 |
|---|---|
| SMILES | C(C(F)(F)F)(OC(F)(F)F)(F)I |
| InChIKey | AKRCGMWXORUMMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane (CAS 69066-98-4), with molecular formula C3F7IO and molecular weight 311.89 g/mol. IUPAC: 1,1,1,2-tetrafluoro-2-iodo-2-(trifluoromethoxy)ethane.
Chemical Property Profile of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane
Property Insights of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane
The XLogP value of 3.5 indicates that 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane?
The CAS number of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane is 69066-98-4.
What is the molecular formula of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane?
The molecular formula of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane is C3F7IO.
What is the molecular weight of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane?
The molecular weight of 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane is 311.89 g/mol.
Where can I buy 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane?
You can request a quote for 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.