4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane
TL;DR: 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane (CAS 200501-94-6) is a chemical compound with molecular formula C9H12F7IO and molecular weight 395.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)octane
Also Known As: 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane, 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)octane, 1,1,1,2-TETRAFLUORO-2-TRIFLUOROMETHOXY-4-IODOOCTANE
| Molecular Formula | C9H12F7IO |
|---|---|
| Molecular Weight | 395.98 g/mol |
| LogP | 5.1348 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.98212 |
| Heavy Atoms | 18 |
| Complexity | 252.28116 |
Chemical Identifiers
| CAS Number | 200501-94-6 |
|---|---|
| SMILES | CCCCC(CC(C(F)(F)F)(OC(F)(F)F)F)I |
Product Overview
4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane (CAS 200501-94-6), with molecular formula C9H12F7IO and molecular weight 395.98 g/mol. IUPAC: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)octane.
Chemical Property Profile of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane
Property Insights of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane
The XLogP value of 5.1348 indicates that 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane?
The CAS number of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane is 200501-94-6.
What is the molecular formula of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane?
The molecular formula of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane is C9H12F7IO.
What is the molecular weight of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane?
The molecular weight of 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane is 395.98 g/mol.
Where can I buy 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane?
You can request a quote for 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-1,1,1,2-tetrafluoro-2-(trifluoromethoxy)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.