Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
TL;DR: Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (CAS 340139-31-3) is a chemical compound with molecular formula C8H3F9O2 and molecular weight 302.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
Also Known As: Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate, prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoa
| Molecular Formula | C8H3F9O2 |
|---|---|
| Molecular Weight | 302.00 g/mol |
| LogP | 2.8361 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.99893 |
| Heavy Atoms | 19 |
| Complexity | 344.9456 |
Chemical Identifiers
| CAS Number | 340139-31-3 |
|---|---|
| SMILES | C#CCOC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate (CAS 340139-31-3), with molecular formula C8H3F9O2 and molecular weight 302.00 g/mol. IUPAC: prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate.
Chemical Property Profile of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
Property Insights of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate
The XLogP value of 2.8361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate 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 Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The CAS number of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is 340139-31-3.
What is the molecular formula of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The molecular formula of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is C8H3F9O2.
What is the molecular weight of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
The molecular weight of Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate is 302.00 g/mol.
Where can I buy Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
You can request a quote for Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.