1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane
TL;DR: 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane (CAS 374-97-0) is a chemical compound with molecular formula C4H2ClF7 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,1,1,2,2,3,3-heptafluorobutane
Also Known As: 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane, 4-chloro-1,1,1,2,2,3,3-heptafluorobutane, 1,1,1,2,2,3,3-Heptafluor-4-chlor-butan, 1-chloro-2,2,3,3,4,4,4-heptafluorobutane, RefChem:212705
| Molecular Formula | C4H2ClF7 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.97333 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 374-97-0 |
|---|---|
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)Cl |
| InChIKey | SZBKCQKJQAYJJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane (CAS 374-97-0), with molecular formula C4H2ClF7 and molecular weight 217.97 g/mol. IUPAC: 4-chloro-1,1,1,2,2,3,3-heptafluorobutane.
Chemical Property Profile of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane
Property Insights of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane
The XLogP value of 3.3 indicates that 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane 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 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane?
The CAS number of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane is 374-97-0.
What is the molecular formula of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane?
The molecular formula of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane is C4H2ClF7.
What is the molecular weight of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane?
The molecular weight of 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane is 217.97 g/mol.
Where can I buy 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane?
You can request a quote for 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,2,3,3-Heptafluoro-4-chlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.