![{4-[(Trifluoroacetyl)amino]phenyl}acetic acid structure](/static/products/1051/105113-62-0.webp)
{4-[(Trifluoroacetyl)amino]phenyl}acetic acid
TL;DR: {4-[(Trifluoroacetyl)amino]phenyl}acetic acid (CAS 105113-62-0) is a chemical compound with molecular formula C10H8F3NO3 and molecular weight 247.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetic acid
Also Known As: 2-[4-(Trifluoroacetamido)phenyl]acetic acid, {4-[(trifluoroacetyl)amino]phenyl}acetic acid, {4-[(Trifluoroacetyl)amino]phenyl}, p-trifluoroacetamidophenyl acetic acid, 2-4-(trifluoroacetamido)phenylacetic acid
Technical Specifications
| Molecular Formula | C10H8F3NO3 |
| Molecular Weight | 247.04562 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04562 Da |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| SMILES | C1=CC(=CC=C1CC(=O)O)NC(=O)C(F)(F)F |
| InChIKey | PXOSUSANPOVCLP-UHFFFAOYSA-N |
Chemical Property Profile of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid
Property Insights of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-[(Trifluoroacetyl)amino]phenyl}acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(Trifluoroacetyl)amino]phenyl}acetic acid. Following Lipinski's Rule of Five, {4-[(Trifluoroacetyl)amino]phenyl}acetic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid?
The CAS number of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid is 105113-62-0.
What is the molecular formula of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid?
The molecular formula of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid is C10H8F3NO3.
What is the molecular weight of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid?
The molecular weight of {4-[(Trifluoroacetyl)amino]phenyl}acetic acid is 247.04562 g/mol.
Where can I buy {4-[(Trifluoroacetyl)amino]phenyl}acetic acid?
You can request a quote for {4-[(Trifluoroacetyl)amino]phenyl}acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for {4-[(Trifluoroacetyl)amino]phenyl}acetic acid?
Yes, CoreyChem provides custom synthesis services for {4-[(Trifluoroacetyl)amino]phenyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.