3,3,3-Trifluoro-2-phenylpropanoic acid
TL;DR: 3,3,3-Trifluoro-2-phenylpropanoic acid (CAS 56964-84-2) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-phenylpropanoic acid
Also Known As: 3,3,3-Trifluoro-2-phenylpropionic Acid, 3,3,3-trifluoro-2-phenylpropanoic acid, trifluoromethylphenylacetic acid, 3,3,3-trifluoro-2-phenyl-propanoic acid, (2R)-3,3,3-trifluoro-2-phenylpropanoic acid
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.03981 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 56964-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)C(F)(F)F |
| InChIKey | HQRSIMQXCAWAJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,3-Trifluoro-2-phenylpropanoic acid (CAS 56964-84-2), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: 3,3,3-trifluoro-2-phenylpropanoic acid.
Chemical Property Profile of 3,3,3-Trifluoro-2-phenylpropanoic acid
Property Insights of 3,3,3-Trifluoro-2-phenylpropanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trifluoro-2-phenylpropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,3,3-Trifluoro-2-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trifluoro-2-phenylpropanoic acid has 1 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 3,3,3-Trifluoro-2-phenylpropanoic acid?
The CAS number of 3,3,3-Trifluoro-2-phenylpropanoic acid is 56964-84-2.
What is the molecular formula of 3,3,3-Trifluoro-2-phenylpropanoic acid?
The molecular formula of 3,3,3-Trifluoro-2-phenylpropanoic acid is C9H7F3O2.
What is the molecular weight of 3,3,3-Trifluoro-2-phenylpropanoic acid?
The molecular weight of 3,3,3-Trifluoro-2-phenylpropanoic acid is 204.04 g/mol.
Where can I buy 3,3,3-Trifluoro-2-phenylpropanoic acid?
You can request a quote for 3,3,3-Trifluoro-2-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trifluoro-2-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trifluoro-2-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.