1-Chloro-2,3,3-trifluorocyclobutene
TL;DR: 1-Chloro-2,3,3-trifluorocyclobutene (CAS 694-62-2) is a chemical compound with molecular formula C1C(=C(C1(F)F)F)Cl and molecular weight 141.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,3,3-trifluorocyclobutene
Also Known As: 1-Chloro-2,3,3-trifluorocyclobutene, 1-chloro-2,3,3-trifluorocyclobut-1-ene, 1-chloro-2,3,3-trifluoro-cyclobutene, Cyclobutene,1-chloro-2,3,3-trifluoro-, 1-Chloro-2,3,3-trifluoro-1-cyclobutene
| Molecular Formula | C1C(=C(C1(F)F)F)Cl |
|---|---|
| Molecular Weight | 141.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.9797 |
| Heavy Atoms | 8 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 694-62-2 |
|---|---|
| SMILES | C1C(=C(C1(F)F)F)Cl |
| InChIKey | NTBUBNMKBVNZBB-UHFFFAOYSA-N |
Product Overview
1-Chloro-2,3,3-trifluorocyclobutene (CAS 694-62-2), with molecular formula C1C(=C(C1(F)F)F)Cl and molecular weight 141.98 g/mol. IUPAC: 1-chloro-2,3,3-trifluorocyclobutene.
Chemical Property Profile of 1-Chloro-2,3,3-trifluorocyclobutene
Property Insights of 1-Chloro-2,3,3-trifluorocyclobutene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-2,3,3-trifluorocyclobutene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2,3,3-trifluorocyclobutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,3,3-trifluorocyclobutene 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-2,3,3-trifluorocyclobutene?
The CAS number of 1-Chloro-2,3,3-trifluorocyclobutene is 694-62-2.
What is the molecular formula of 1-Chloro-2,3,3-trifluorocyclobutene?
The molecular formula of 1-Chloro-2,3,3-trifluorocyclobutene is C1C(=C(C1(F)F)F)Cl.
What is the molecular weight of 1-Chloro-2,3,3-trifluorocyclobutene?
The molecular weight of 1-Chloro-2,3,3-trifluorocyclobutene is 141.98 g/mol.
Where can I buy 1-Chloro-2,3,3-trifluorocyclobutene?
You can request a quote for 1-Chloro-2,3,3-trifluorocyclobutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2,3,3-trifluorocyclobutene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,3,3-trifluorocyclobutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.