1,4,4-Trichloro-3,3-difluorocyclobutene
TL;DR: 1,4,4-Trichloro-3,3-difluorocyclobutene (CAS 17698-12-3) is a chemical compound with molecular formula C4HCl3F2 and molecular weight 191.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4-trichloro-3,3-difluorocyclobutene
Also Known As: 1,4,4-trichloro-3,3-difluorocyclobutene, KST-1B1033, 2,3,3-Trichlor-4,4-difluor-cyclobut-1-en, Cyclobutene,1,4,4-trichloro-3,3-difluoro-, 1,4,4-TRICHLORO-3,3-DIFLUOROCYCLOBUT-1-ENE
| Molecular Formula | C4HCl3F2 |
|---|---|
| Molecular Weight | 191.91 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.9112 |
| Heavy Atoms | 9 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 17698-12-3 |
|---|---|
| SMILES | C1=C(C(C1(F)F)(Cl)Cl)Cl |
| InChIKey | KMUDUDBBULHIIQ-UHFFFAOYSA-N |
Product Overview
1,4,4-Trichloro-3,3-difluorocyclobutene (CAS 17698-12-3), with molecular formula C4HCl3F2 and molecular weight 191.91 g/mol. IUPAC: 1,4,4-trichloro-3,3-difluorocyclobutene.
Chemical Property Profile of 1,4,4-Trichloro-3,3-difluorocyclobutene
Property Insights of 1,4,4-Trichloro-3,3-difluorocyclobutene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4-Trichloro-3,3-difluorocyclobutene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4,4-Trichloro-3,3-difluorocyclobutene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4-Trichloro-3,3-difluorocyclobutene has 0 hydrogen bond donor(s) and 2 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 1,4,4-Trichloro-3,3-difluorocyclobutene?
The CAS number of 1,4,4-Trichloro-3,3-difluorocyclobutene is 17698-12-3.
What is the molecular formula of 1,4,4-Trichloro-3,3-difluorocyclobutene?
The molecular formula of 1,4,4-Trichloro-3,3-difluorocyclobutene is C4HCl3F2.
What is the molecular weight of 1,4,4-Trichloro-3,3-difluorocyclobutene?
The molecular weight of 1,4,4-Trichloro-3,3-difluorocyclobutene is 191.91 g/mol.
Where can I buy 1,4,4-Trichloro-3,3-difluorocyclobutene?
You can request a quote for 1,4,4-Trichloro-3,3-difluorocyclobutene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4-Trichloro-3,3-difluorocyclobutene?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4-Trichloro-3,3-difluorocyclobutene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.