4-Chloro-1,1,1-trifluorobutane
TL;DR: 4-Chloro-1,1,1-trifluorobutane (CAS 40939-90-0) is a chemical compound with molecular formula C4H6ClF3 and molecular weight 146.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,1,1-trifluorobutane
Also Known As: 4-Chloro-1,1,1-trifluorobutane, 3,3-Dimethyl-1-indanone, 4,4,4-Trifluorobutyl chloride, 1-chloro-4,4,4-trifluorobutane, 1-chloro-4,4,4-trifluoro-butane
| Molecular Formula | C4H6ClF3 |
|---|---|
| Molecular Weight | 146.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.01102 |
| Heavy Atoms | 8 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 40939-90-0 |
|---|---|
| SMILES | C(CC(F)(F)F)CCl |
| InChIKey | OUFCPOCAIPBDNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-1,1,1-trifluorobutane (CAS 40939-90-0), with molecular formula C4H6ClF3 and molecular weight 146.01 g/mol. IUPAC: 4-chloro-1,1,1-trifluorobutane.
Chemical Property Profile of 4-Chloro-1,1,1-trifluorobutane
Property Insights of 4-Chloro-1,1,1-trifluorobutane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,1,1-trifluorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Chloro-1,1,1-trifluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1,1,1-trifluorobutane has 0 hydrogen bond donor(s) and 3 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 4-Chloro-1,1,1-trifluorobutane?
The CAS number of 4-Chloro-1,1,1-trifluorobutane is 40939-90-0.
What is the molecular formula of 4-Chloro-1,1,1-trifluorobutane?
The molecular formula of 4-Chloro-1,1,1-trifluorobutane is C4H6ClF3.
What is the molecular weight of 4-Chloro-1,1,1-trifluorobutane?
The molecular weight of 4-Chloro-1,1,1-trifluorobutane is 146.01 g/mol.
Where can I buy 4-Chloro-1,1,1-trifluorobutane?
You can request a quote for 4-Chloro-1,1,1-trifluorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,1,1-trifluorobutane?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,1,1-trifluorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.