1,1,1,2,4,4,4-Heptafluorobut-2-ene
TL;DR: 1,1,1,2,4,4,4-Heptafluorobut-2-ene (CAS 19804-68-3) is a chemical compound with molecular formula C4HF7 and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,4,4,4-heptafluorobut-2-ene
Also Known As: 1,1,1,2,4,4,4-heptafluorobut-2-ene, 1,1,1,2,4,4,4-Heptafluoro-2-butene, 2-Butene,1,1,1,2,4,4,4-heptafluoro-, 2-Butene, 1,1,1,2,4,4,4-heptafluoro-, (Z)-1,1,1,2,4,4,4-heptafluorobut-2-ene
| Molecular Formula | C4HF7 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.99664 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 19804-68-3 |
|---|---|
| SMILES | C(=C(C(F)(F)F)F)C(F)(F)F |
| InChIKey | YIFLMZOLKQBEBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2,4,4,4-Heptafluorobut-2-ene (CAS 19804-68-3), with molecular formula C4HF7 and molecular weight 182.00 g/mol. IUPAC: 1,1,1,2,4,4,4-heptafluorobut-2-ene.
Chemical Property Profile of 1,1,1,2,4,4,4-Heptafluorobut-2-ene
Property Insights of 1,1,1,2,4,4,4-Heptafluorobut-2-ene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,2,4,4,4-Heptafluorobut-2-ene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2,4,4,4-Heptafluorobut-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,4,4,4-Heptafluorobut-2-ene 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 1,1,1,2,4,4,4-Heptafluorobut-2-ene?
The CAS number of 1,1,1,2,4,4,4-Heptafluorobut-2-ene is 19804-68-3.
What is the molecular formula of 1,1,1,2,4,4,4-Heptafluorobut-2-ene?
The molecular formula of 1,1,1,2,4,4,4-Heptafluorobut-2-ene is C4HF7.
What is the molecular weight of 1,1,1,2,4,4,4-Heptafluorobut-2-ene?
The molecular weight of 1,1,1,2,4,4,4-Heptafluorobut-2-ene is 182.00 g/mol.
Where can I buy 1,1,1,2,4,4,4-Heptafluorobut-2-ene?
You can request a quote for 1,1,1,2,4,4,4-Heptafluorobut-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,4,4,4-Heptafluorobut-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,4,4,4-Heptafluorobut-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.