1-Chloro-1,2,2-trifluorocyclobutane
TL;DR: 1-Chloro-1,2,2-trifluorocyclobutane (CAS 661-71-2) is a chemical compound with molecular formula C4H4ClF3 and molecular weight 144.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1,2,2-trifluorocyclobutane
Also Known As: 1-Chloro-1,2,2-trifluorocyclobutane, 1-Ctfcb, C3HClF4O2, 3-Chlorotetrafluoropropionic acid, Cyclobutane, 1-chloro-1,2,2-trifluoro-
| Molecular Formula | C4H4ClF3 |
|---|---|
| Molecular Weight | 144.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.99536 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 661-71-2 |
|---|---|
| SMILES | C1CC(C1(F)F)(F)Cl |
| InChIKey | ZZQYDYODFHABLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1,2,2-trifluorocyclobutane (CAS 661-71-2), with molecular formula C4H4ClF3 and molecular weight 144.00 g/mol. IUPAC: 1-chloro-1,2,2-trifluorocyclobutane.
Chemical Property Profile of 1-Chloro-1,2,2-trifluorocyclobutane
Property Insights of 1-Chloro-1,2,2-trifluorocyclobutane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,2,2-trifluorocyclobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-1,2,2-trifluorocyclobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,2,2-trifluorocyclobutane 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 1-Chloro-1,2,2-trifluorocyclobutane?
The CAS number of 1-Chloro-1,2,2-trifluorocyclobutane is 661-71-2.
What is the molecular formula of 1-Chloro-1,2,2-trifluorocyclobutane?
The molecular formula of 1-Chloro-1,2,2-trifluorocyclobutane is C4H4ClF3.
What is the molecular weight of 1-Chloro-1,2,2-trifluorocyclobutane?
The molecular weight of 1-Chloro-1,2,2-trifluorocyclobutane is 144.00 g/mol.
Where can I buy 1-Chloro-1,2,2-trifluorocyclobutane?
You can request a quote for 1-Chloro-1,2,2-trifluorocyclobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,2,2-trifluorocyclobutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,2,2-trifluorocyclobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.