2,2,2-Trifluoroethyl but-2-enoate
TL;DR: 2,2,2-Trifluoroethyl but-2-enoate (CAS 287957-36-2) is a chemical compound with molecular formula C6H7F3O2 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl but-2-enoate
Also Known As: 2,2,2-Trifluoroethyl crotonate, HmTDpJxIAICICHiBeLjjfXDC@, 2,2,2-trifluoroethyl but-2-enoate, 2,2,2-trifluoroethyl (E)-but-2-enoate
| Molecular Formula | C6H7F3O2 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.668 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.03981 |
| Heavy Atoms | 11 |
| Complexity | 159.70056 |
Chemical Identifiers
| CAS Number | 287957-36-2 |
|---|---|
| SMILES | CC=CC(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl but-2-enoate (CAS 287957-36-2), with molecular formula C6H7F3O2 and molecular weight 168.04 g/mol. IUPAC: 2,2,2-trifluoroethyl but-2-enoate.
Chemical Property Profile of 2,2,2-Trifluoroethyl but-2-enoate
Property Insights of 2,2,2-Trifluoroethyl but-2-enoate
The XLogP value of 1.668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl but-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trifluoroethyl but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl but-2-enoate has 0 hydrogen bond donor(s) and 2 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 2,2,2-Trifluoroethyl but-2-enoate?
The CAS number of 2,2,2-Trifluoroethyl but-2-enoate is 287957-36-2.
What is the molecular formula of 2,2,2-Trifluoroethyl but-2-enoate?
The molecular formula of 2,2,2-Trifluoroethyl but-2-enoate is C6H7F3O2.
What is the molecular weight of 2,2,2-Trifluoroethyl but-2-enoate?
The molecular weight of 2,2,2-Trifluoroethyl but-2-enoate is 168.04 g/mol.
Where can I buy 2,2,2-Trifluoroethyl but-2-enoate?
You can request a quote for 2,2,2-Trifluoroethyl but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.