1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-
TL;DR: 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 76790-81-3) is a chemical compound with molecular formula C9H10F6O2 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene
Also Known As: 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-, J3.159.090F, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene, 1,1-Bis(trifluoromethyl)-3,3-diethoxypropadiene, RefChem:215736
| Molecular Formula | C9H10F6O2 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.0585 |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 76790-81-3 |
|---|---|
| SMILES | CCOC(=C=C(C(F)(F)F)C(F)(F)F)OCC |
| InChIKey | WOFGPJYBAYEOED-UHFFFAOYSA-N |
Product Overview
1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 76790-81-3), with molecular formula C9H10F6O2 and molecular weight 264.06 g/mol. IUPAC: 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene.
Chemical Property Profile of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-
Property Insights of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-
The XLogP value of 3.2 indicates that 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 8 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 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-?
The CAS number of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- is 76790-81-3.
What is the molecular formula of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular formula of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- is C9H10F6O2.
What is the molecular weight of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular weight of 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- is 264.06 g/mol.
Where can I buy 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-?
You can request a quote for 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Butadiene, 1,1-diethoxy-4,4,4-trifluoro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.