1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane
TL;DR: 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane (CAS 40706-98-7) is a chemical compound with molecular formula C5H4F7I and molecular weight 323.92 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-(trifluoromethyl)butane
Also Known As: 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane, 4-iodo-1,1,1,2-tetrafluoro-2-(trifluoromethyl)butane, 2-(2-Iodoethyl)perfluoropropane, (CF3)2CFCH2CH2I, 4-Iodo-2-(trifluoromethyl)-1,1,1,2-tetrafluoro-butane
| Molecular Formula | C5H4F7I |
|---|---|
| Molecular Weight | 323.92 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.9246 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 40706-98-7 |
|---|---|
| SMILES | C(CI)C(C(F)(F)F)(C(F)(F)F)F |
| InChIKey | NRVDKMYDLZBFEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane (CAS 40706-98-7), with molecular formula C5H4F7I and molecular weight 323.92 g/mol. IUPAC: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)butane.
Chemical Property Profile of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane
Property Insights of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane
The XLogP value of 4.1 indicates that 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane has 0 hydrogen bond donor(s) and 7 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 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane?
The CAS number of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane is 40706-98-7.
What is the molecular formula of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane?
The molecular formula of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane is C5H4F7I.
What is the molecular weight of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane?
The molecular weight of 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane is 323.92 g/mol.
Where can I buy 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane?
You can request a quote for 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.