1,1,1,2,3,3-Hexafluoro-4-methoxybutane
TL;DR: 1,1,1,2,3,3-Hexafluoro-4-methoxybutane (CAS 58705-93-4) is a chemical compound with molecular formula C5H6F6O and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,3,3-hexafluoro-4-methoxybutane
Also Known As: 1,1,1,2,3,3-Hexafluoro-4-methoxybutane, 2,2,3,4,4,4-Hexafluorobutylmethyl ether, 2,2,3,4,4,4-hexafluorobutyl methyl ether, Butane,1,1,1,2,3,3-hexafluoro-4-methoxy-, 261-399-7
| Molecular Formula | C5H6F6O |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03229 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 58705-93-4 |
|---|---|
| SMILES | COCC(C(C(F)(F)F)F)(F)F |
| InChIKey | XHVKFIIHYDDMQB-UHFFFAOYSA-N |
Product Overview
1,1,1,2,3,3-Hexafluoro-4-methoxybutane (CAS 58705-93-4), with molecular formula C5H6F6O and molecular weight 196.03 g/mol. IUPAC: 1,1,1,2,3,3-hexafluoro-4-methoxybutane.
Chemical Property Profile of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane
Property Insights of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,2,3,3-Hexafluoro-4-methoxybutane. With a topological polar surface area (TPSA) of 9.2 Ų, 1,1,1,2,3,3-Hexafluoro-4-methoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,3,3-Hexafluoro-4-methoxybutane 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 1,1,1,2,3,3-Hexafluoro-4-methoxybutane?
The CAS number of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane is 58705-93-4.
What is the molecular formula of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane?
The molecular formula of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane is C5H6F6O.
What is the molecular weight of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane?
The molecular weight of 1,1,1,2,3,3-Hexafluoro-4-methoxybutane is 196.03 g/mol.
Where can I buy 1,1,1,2,3,3-Hexafluoro-4-methoxybutane?
You can request a quote for 1,1,1,2,3,3-Hexafluoro-4-methoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,3,3-Hexafluoro-4-methoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,3,3-Hexafluoro-4-methoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.