Acetic acid, 2,2,2-trifluoro-, phenyl ester
TL;DR: Acetic acid, 2,2,2-trifluoro-, phenyl ester (CAS 500-73-2) is a chemical compound with molecular formula C8H5F3O2 and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,2,2-trifluoroacetate
Also Known As: Phenyl trifluoroacetate, Phenyltrifluoroacetate, phenyl 2,2,2-trifluoroacetate, phenol trifluoroacetate, Acetic acid, trifluoro-, phenyl ester
| Molecular Formula | C8H5F3O2 |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02417 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 500-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C(F)(F)F |
| InChIKey | DVCMYAIUSOSIQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2,2,2-trifluoro-, phenyl ester (CAS 500-73-2), with molecular formula C8H5F3O2 and molecular weight 190.02 g/mol. IUPAC: phenyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, 2,2,2-trifluoro-, phenyl ester
Property Insights of Acetic acid, 2,2,2-trifluoro-, phenyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2,2,2-trifluoro-, phenyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2,2,2-trifluoro-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2,2,2-trifluoro-, phenyl ester has 0 hydrogen bond donor(s) and 5 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 Acetic acid, 2,2,2-trifluoro-, phenyl ester?
The CAS number of Acetic acid, 2,2,2-trifluoro-, phenyl ester is 500-73-2.
What is the molecular formula of Acetic acid, 2,2,2-trifluoro-, phenyl ester?
The molecular formula of Acetic acid, 2,2,2-trifluoro-, phenyl ester is C8H5F3O2.
What is the molecular weight of Acetic acid, 2,2,2-trifluoro-, phenyl ester?
The molecular weight of Acetic acid, 2,2,2-trifluoro-, phenyl ester is 190.02 g/mol.
Where can I buy Acetic acid, 2,2,2-trifluoro-, phenyl ester?
You can request a quote for Acetic acid, 2,2,2-trifluoro-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2,2,2-trifluoro-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2,2,2-trifluoro-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.