1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate
TL;DR: 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate (CAS 135771-94-7) is a chemical compound with molecular formula C7H6F6O2 and molecular weight 236.02719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,3,3,3-hexafluoropropan-2-yl but-2-enoate
Also Known As: Hexafluoroisopropyl crotonate, HoDXJtIAICI@YBYAYCHiCDiEFjjjifAAp, 1,1,1,3,3,3-hexafluoropropan-2-yl but-2-enoate, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] but-2-enoate, 2-Butenoic Acid 2,2,2-Trifluoro-1-(Trifluoromethyl)Ethyl Ester
Technical Specifications
| Molecular Formula | C7H6F6O2 |
| Molecular Weight | 236.02719 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.02719 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CC=CC(=O)OC(C(F)(F)F)C(F)(F)F |
| InChIKey | DCARLDZSCMKDNZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate
Property Insights of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate
The XLogP value of 3.2 indicates that 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate?
The CAS number of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate is 135771-94-7.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate?
The molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate is C7H6F6O2.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate?
The molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate is 236.02719 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate?
You can request a quote for 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate?
Yes, CoreyChem provides custom synthesis services for 1,1,1,3,3,3-Hexafluoropropan-2-yl but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.