1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene
TL;DR: 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene (CAS 21581-82-8) is a chemical compound with molecular formula C5F10 and molecular weight 249.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,3,4,4,4-heptafluoro-3-(trifluoromethyl)but-1-ene
Also Known As: perfluoroisopropylethylene, decafluoro-3-methyl-1-butene, 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene, KST-1B1804, 1,1,2,3,4,4,4-heptafluoro-3- but-1-ene
| Molecular Formula | C5F10 |
|---|---|
| Molecular Weight | 249.98 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.98402 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 21581-82-8 |
|---|---|
| SMILES | C(=C(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F |
| InChIKey | CPAQQPJFMVGXBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene (CAS 21581-82-8), with molecular formula C5F10 and molecular weight 249.98 g/mol. IUPAC: 1,1,2,3,4,4,4-heptafluoro-3-(trifluoromethyl)but-1-ene.
Chemical Property Profile of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene
Property Insights of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene
The XLogP value of 3.3 indicates that 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene has 0 hydrogen bond donor(s) and 10 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 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene?
The CAS number of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene is 21581-82-8.
What is the molecular formula of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene?
The molecular formula of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene is C5F10.
What is the molecular weight of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene?
The molecular weight of 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene is 249.98 g/mol.
Where can I buy 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene?
You can request a quote for 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)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 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.