2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-
TL;DR: 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- (CAS 400-44-2) is a chemical compound with molecular formula C4HClF6 and molecular weight 197.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene
Also Known As: CHFB, C4HClF6, Halothane EP Impurity B, 2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene, 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-
| Molecular Formula | C4HClF6 |
|---|---|
| Molecular Weight | 197.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.9671 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 400-44-2 |
|---|---|
| SMILES | C(=C(C(F)(F)F)Cl)C(F)(F)F |
| InChIKey | JRENXZBKMHPULY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- (CAS 400-44-2), with molecular formula C4HClF6 and molecular weight 197.97 g/mol. IUPAC: 2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene.
Chemical Property Profile of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-
Property Insights of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-
The XLogP value of 3.1 indicates that 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- has 0 hydrogen bond donor(s) and 6 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-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-?
The CAS number of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- is 400-44-2.
What is the molecular formula of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-?
The molecular formula of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- is C4HClF6.
What is the molecular weight of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-?
The molecular weight of 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- is 197.97 g/mol.
Where can I buy 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-?
You can request a quote for 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butene,2-chloro-1,1,1,4,4,4-hexafluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.