Pentafluoropropionic acid, 2-phenylethyl ester
TL;DR: Pentafluoropropionic acid, 2-phenylethyl ester (CAS 81089-48-7) is a chemical compound with molecular formula C11H9F5O2 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: Pentafluoropropionic acid, 2-phenylethyl ester, phenethyl 2,2,3,3,3-pentafluoropropanoate, Pentafluoropropionic acid 2-phenylethyl ester, 2-Phenylethyl 2,2,3,3,3-pentafluoropropanoate, 2-Phenylethyl 2,2,3,3,3-pentafluoropropanoate #
| Molecular Formula | C11H9F5O2 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.05228 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 81089-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C(C(F)(F)F)(F)F |
| InChIKey | OFIVJHOTDZNEQQ-UHFFFAOYSA-N |
Product Overview
Pentafluoropropionic acid, 2-phenylethyl ester (CAS 81089-48-7), with molecular formula C11H9F5O2 and molecular weight 268.05 g/mol. IUPAC: 2-phenylethyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Pentafluoropropionic acid, 2-phenylethyl ester
Property Insights of Pentafluoropropionic acid, 2-phenylethyl ester
The XLogP value of 3.7 indicates that Pentafluoropropionic acid, 2-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentafluoropropionic acid, 2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoropropionic acid, 2-phenylethyl ester has 0 hydrogen bond donor(s) and 7 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 Pentafluoropropionic acid, 2-phenylethyl ester?
The CAS number of Pentafluoropropionic acid, 2-phenylethyl ester is 81089-48-7.
What is the molecular formula of Pentafluoropropionic acid, 2-phenylethyl ester?
The molecular formula of Pentafluoropropionic acid, 2-phenylethyl ester is C11H9F5O2.
What is the molecular weight of Pentafluoropropionic acid, 2-phenylethyl ester?
The molecular weight of Pentafluoropropionic acid, 2-phenylethyl ester is 268.05 g/mol.
Where can I buy Pentafluoropropionic acid, 2-phenylethyl ester?
You can request a quote for Pentafluoropropionic acid, 2-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoropropionic acid, 2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoropropionic acid, 2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.