2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
TL;DR: 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene (CAS 261503-71-3) is a chemical compound with molecular formula C5H2ClF7O and molecular weight 245.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
Also Known As: 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene, 2-Chloro-3,4,4,4-tetrafluoro-3-trifluoromethoxy-1-butene, 2-chloro-1-fluoro-1-(trifluoromethoxy)-1-(trifluoromethyl)prop-2-ene, C5H2ClF7O
| Molecular Formula | C5H2ClF7O |
|---|---|
| Molecular Weight | 245.97 g/mol |
| LogP | 3.5034 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.96825 |
| Heavy Atoms | 14 |
| Complexity | 231.2151 |
Chemical Identifiers
| CAS Number | 261503-71-3 |
|---|---|
| SMILES | C=C(C(C(F)(F)F)(OC(F)(F)F)F)Cl |
Product Overview
2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene (CAS 261503-71-3), with molecular formula C5H2ClF7O and molecular weight 245.97 g/mol. IUPAC: 2-chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene.
Chemical Property Profile of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
Property Insights of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene
The XLogP value of 3.5034 indicates that 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene has 0 hydrogen bond donor(s) and 1 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 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The CAS number of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is 261503-71-3.
What is the molecular formula of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The molecular formula of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is C5H2ClF7O.
What is the molecular weight of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
The molecular weight of 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene is 245.97 g/mol.
Where can I buy 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
You can request a quote for 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3,4,4,4-tetrafluoro-3-(trifluoromethoxy)but-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.