tert-Butyl 2-fluoroacrylate
TL;DR: tert-Butyl 2-fluoroacrylate (CAS 85345-86-4) is a chemical compound with molecular formula C7H11FO2 and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-fluoroprop-2-enoate
Also Known As: tert-Butyl 2-fluoroacrylate, tert-butyl 2-fluoroprop-2-enoate, t-butyl 2-fluoroacrylate, Tert-butyl 2-fluoropropenoate, 95% (stabilized with BHT)
| Molecular Formula | C7H11FO2 |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 1.8113 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.07431 |
| Heavy Atoms | 10 |
| Complexity | 155.47926 |
Chemical Identifiers
| CAS Number | 85345-86-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(=C)F |
Product Overview
tert-Butyl 2-fluoroacrylate (CAS 85345-86-4), with molecular formula C7H11FO2 and molecular weight 146.07 g/mol. IUPAC: tert-butyl 2-fluoroprop-2-enoate.
Chemical Property Profile of tert-Butyl 2-fluoroacrylate
Property Insights of tert-Butyl 2-fluoroacrylate
The XLogP value of 1.8113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-fluoroacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 2-fluoroacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-fluoroacrylate 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 tert-Butyl 2-fluoroacrylate?
The CAS number of tert-Butyl 2-fluoroacrylate is 85345-86-4.
What is the molecular formula of tert-Butyl 2-fluoroacrylate?
The molecular formula of tert-Butyl 2-fluoroacrylate is C7H11FO2.
What is the molecular weight of tert-Butyl 2-fluoroacrylate?
The molecular weight of tert-Butyl 2-fluoroacrylate is 146.07 g/mol.
Where can I buy tert-Butyl 2-fluoroacrylate?
You can request a quote for tert-Butyl 2-fluoroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-fluoroacrylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-fluoroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.