1,1,1-Trifluoro-4-iodobutane
TL;DR: 1,1,1-Trifluoro-4-iodobutane (CAS 461-17-6) is a chemical compound with molecular formula C4H6F3I and molecular weight 237.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-iodobutane
Also Known As: 1,1,1-Trifluoro-4-iodobutane, 1-Iodo-4,4,4-trifluorobutane, 4,4,4-trifluoro-1-iodobutane, 4-iodo-1,1,1-trifluorobutane, 4,4,4-Trifluorobutyl iodide
| Molecular Formula | C4H6F3I |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 2.7639 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.94662 |
| Heavy Atoms | 8 |
| Complexity | 58.793987 |
Chemical Identifiers
| CAS Number | 461-17-6 |
|---|---|
| SMILES | C(CC(F)(F)F)CI |
Product Overview
1,1,1-Trifluoro-4-iodobutane (CAS 461-17-6), with molecular formula C4H6F3I and molecular weight 237.95 g/mol. IUPAC: 1,1,1-trifluoro-4-iodobutane.
Chemical Property Profile of 1,1,1-Trifluoro-4-iodobutane
Property Insights of 1,1,1-Trifluoro-4-iodobutane
The XLogP value of 2.7639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-iodobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1-Trifluoro-4-iodobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-iodobutane 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-iodobutane?
The CAS number of 1,1,1-Trifluoro-4-iodobutane is 461-17-6.
What is the molecular formula of 1,1,1-Trifluoro-4-iodobutane?
The molecular formula of 1,1,1-Trifluoro-4-iodobutane is C4H6F3I.
What is the molecular weight of 1,1,1-Trifluoro-4-iodobutane?
The molecular weight of 1,1,1-Trifluoro-4-iodobutane is 237.95 g/mol.
Where can I buy 1,1,1-Trifluoro-4-iodobutane?
You can request a quote for 1,1,1-Trifluoro-4-iodobutane 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-iodobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-iodobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.