1,1,1-Trifluoro-2,3-epoxybutane
TL;DR: 1,1,1-Trifluoro-2,3-epoxybutane (CAS 406-30-4) is a chemical compound with molecular formula C4H5F3O and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(trifluoromethyl)oxirane
Also Known As: 1,1,1-Trifluoro-2,3-epoxybutane, 2-methyl-3-(trifluoromethyl)oxirane, 3-methyl-2-(trifluoromethyl)oxirane, 2769AE, 1-(Trifluoromethyl)-1,2-propenoxide
| Molecular Formula | C4H5F3O |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 1.336 |
| Topological Polar Surface Area | 12.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.02925 |
| Heavy Atoms | 8 |
| Complexity | 97.94677 |
Chemical Identifiers
| CAS Number | 406-30-4 |
|---|---|
| SMILES | CC1C(O1)C(F)(F)F |
Product Overview
1,1,1-Trifluoro-2,3-epoxybutane (CAS 406-30-4), with molecular formula C4H5F3O and molecular weight 126.03 g/mol. IUPAC: 2-methyl-3-(trifluoromethyl)oxirane.
Chemical Property Profile of 1,1,1-Trifluoro-2,3-epoxybutane
Property Insights of 1,1,1-Trifluoro-2,3-epoxybutane
The XLogP value of 1.336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2,3-epoxybutane. With a topological polar surface area (TPSA) of 12.53 Ų, 1,1,1-Trifluoro-2,3-epoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2,3-epoxybutane has 0 hydrogen bond donor(s) and 1 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 1,1,1-Trifluoro-2,3-epoxybutane?
The CAS number of 1,1,1-Trifluoro-2,3-epoxybutane is 406-30-4.
What is the molecular formula of 1,1,1-Trifluoro-2,3-epoxybutane?
The molecular formula of 1,1,1-Trifluoro-2,3-epoxybutane is C4H5F3O.
What is the molecular weight of 1,1,1-Trifluoro-2,3-epoxybutane?
The molecular weight of 1,1,1-Trifluoro-2,3-epoxybutane is 126.03 g/mol.
Where can I buy 1,1,1-Trifluoro-2,3-epoxybutane?
You can request a quote for 1,1,1-Trifluoro-2,3-epoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-2,3-epoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2,3-epoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.