2-(Trifluoromethyl)oxirane
TL;DR: 2-(Trifluoromethyl)oxirane (CAS 28086-47-7) is a chemical compound with molecular formula C3H3F3O and molecular weight 112.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)oxirane
Also Known As: 2-(Trifluoromethyl)oxirane, 1,1,1-Trifluoro-2,3-epoxypropane, 1,2-Epoxy-3,3,3-trifluoropropane, (trifluoromethyl)oxirane, Oxirane, (trifluoromethyl)-
| Molecular Formula | C3H3F3O |
|---|---|
| Molecular Weight | 112.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.013596 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 28086-47-7 |
|---|---|
| SMILES | C1C(O1)C(F)(F)F |
| InChIKey | AQZRARFZZMGLHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)oxirane (CAS 28086-47-7), with molecular formula C3H3F3O and molecular weight 112.01 g/mol. IUPAC: 2-(trifluoromethyl)oxirane.
Chemical Property Profile of 2-(Trifluoromethyl)oxirane
Property Insights of 2-(Trifluoromethyl)oxirane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(Trifluoromethyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)oxirane has 0 hydrogen bond donor(s) and 4 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 2-(Trifluoromethyl)oxirane?
The CAS number of 2-(Trifluoromethyl)oxirane is 28086-47-7.
What is the molecular formula of 2-(Trifluoromethyl)oxirane?
The molecular formula of 2-(Trifluoromethyl)oxirane is C3H3F3O.
What is the molecular weight of 2-(Trifluoromethyl)oxirane?
The molecular weight of 2-(Trifluoromethyl)oxirane is 112.01 g/mol.
Where can I buy 2-(Trifluoromethyl)oxirane?
You can request a quote for 2-(Trifluoromethyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.