3-Chloro-2,2-difluorooxirane
TL;DR: 3-Chloro-2,2-difluorooxirane (CAS 87498-70-2) is a chemical compound with molecular formula C2HClF2O and molecular weight 113.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,2-difluorooxirane
Also Known As: 3-chloro-2,2-difluorooxirane, 3-chloro-2,2-difluoro-oxirane, Oxirane, 3-chloro-2,2-difluoro-, Oxirane,3-chloro-2,2-difluoro-
| Molecular Formula | C2HClF2O |
|---|---|
| Molecular Weight | 113.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.9684 |
| Heavy Atoms | 6 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 87498-70-2 |
|---|---|
| SMILES | C1(C(O1)(F)F)Cl |
| InChIKey | RVXNEMGXHQPWEU-UHFFFAOYSA-N |
Product Overview
3-Chloro-2,2-difluorooxirane (CAS 87498-70-2), with molecular formula C2HClF2O and molecular weight 113.97 g/mol. IUPAC: 3-chloro-2,2-difluorooxirane.
Chemical Property Profile of 3-Chloro-2,2-difluorooxirane
Property Insights of 3-Chloro-2,2-difluorooxirane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2,2-difluorooxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Chloro-2,2-difluorooxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2,2-difluorooxirane 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 3-Chloro-2,2-difluorooxirane?
The CAS number of 3-Chloro-2,2-difluorooxirane is 87498-70-2.
What is the molecular formula of 3-Chloro-2,2-difluorooxirane?
The molecular formula of 3-Chloro-2,2-difluorooxirane is C2HClF2O.
What is the molecular weight of 3-Chloro-2,2-difluorooxirane?
The molecular weight of 3-Chloro-2,2-difluorooxirane is 113.97 g/mol.
Where can I buy 3-Chloro-2,2-difluorooxirane?
You can request a quote for 3-Chloro-2,2-difluorooxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2,2-difluorooxirane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2,2-difluorooxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.