1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
TL;DR: 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane (CAS 14115-45-8) is a chemical compound with molecular formula C6H4F9I and molecular weight 373.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
Also Known As: 1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane, (perfluoro-t-butyl)-ethyl iodide, Butane, 1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)-, 1-iodo-4,4,4-trifluoro-3,3-bis(trifluoromethyl)butane, 4,4,4-trifluoro-3,3-bis(trifluoromethyl)-1-iodobutane
| Molecular Formula | C6H4F9I |
|---|---|
| Molecular Weight | 373.92 g/mol |
| LogP | 4.4848 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.9214 |
| Heavy Atoms | 16 |
| Complexity | 197.81534 |
Chemical Identifiers
| CAS Number | 14115-45-8 |
|---|---|
| SMILES | C(CI)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane (CAS 14115-45-8), with molecular formula C6H4F9I and molecular weight 373.92 g/mol. IUPAC: 1,1,1-trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane.
Chemical Property Profile of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
Property Insights of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane
The XLogP value of 4.4848 indicates that 1,1,1-Trifluoro-4-iodo-2,2-bis(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-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane has 0 hydrogen bond donor(s) and 0 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-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane?
The CAS number of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane is 14115-45-8.
What is the molecular formula of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane?
The molecular formula of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane is C6H4F9I.
What is the molecular weight of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane?
The molecular weight of 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane is 373.92 g/mol.
Where can I buy 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane?
You can request a quote for 1,1,1-Trifluoro-4-iodo-2,2-bis(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-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-iodo-2,2-bis(trifluoromethyl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.