Butoxyvinyl trifluoromethyl ketone
TL;DR: Butoxyvinyl trifluoromethyl ketone (CAS 109317-78-4) is a chemical compound with molecular formula C8H11F3O2 and molecular weight 196.07112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butoxy-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-Butoxy-1,1,1-trifluorobut-3-en-2-one, 4-butoxy-1,1,1-trifluoro-3-buten-2-one, butoxyvinyl trifluoromethyl ketone, (E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one, 4-butoxy-1,1,1-trofluoro-3-buten-2-one
Technical Specifications
| Molecular Formula | C8H11F3O2 |
| Molecular Weight | 196.07112 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.07112 Da |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| SMILES | CCCCOC=CC(=O)C(F)(F)F |
| InChIKey | JMCLSTURONLRIB-UHFFFAOYSA-N |
Chemical Property Profile of Butoxyvinyl trifluoromethyl ketone
Property Insights of Butoxyvinyl trifluoromethyl ketone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butoxyvinyl trifluoromethyl ketone. With a topological polar surface area (TPSA) of 26.3 Ų, Butoxyvinyl trifluoromethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butoxyvinyl trifluoromethyl ketone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butoxyvinyl trifluoromethyl ketone?
The CAS number of Butoxyvinyl trifluoromethyl ketone is 109317-78-4.
What is the molecular formula of Butoxyvinyl trifluoromethyl ketone?
The molecular formula of Butoxyvinyl trifluoromethyl ketone is C8H11F3O2.
What is the molecular weight of Butoxyvinyl trifluoromethyl ketone?
The molecular weight of Butoxyvinyl trifluoromethyl ketone is 196.07112 g/mol.
Where can I buy Butoxyvinyl trifluoromethyl ketone?
You can request a quote for Butoxyvinyl trifluoromethyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butoxyvinyl trifluoromethyl ketone?
Yes, CoreyChem provides custom synthesis services for Butoxyvinyl trifluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.