N-Trifluoroacetyl-2-aminoethanol
TL;DR: N-Trifluoroacetyl-2-aminoethanol (CAS 6974-29-4) is a chemical compound with molecular formula C4H6F3NO2 and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
Also Known As: 2,2,2-Trifluoro-N-(2-hydroxyethyl)acetamide, N-(2-Hydroxyethyl)trifluoroacetamide, N-Trifluoroacetyl-ethanolamine, N-Trifluoroacetyl-2-aminoethanol, N-(Trifluoroacetyl)ethanolamine
| Molecular Formula | C4H6F3NO2 |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.03506 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 6974-29-4 |
|---|---|
| SMILES | C(CO)NC(=O)C(F)(F)F |
| InChIKey | NPSVCXHBJVBBAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Trifluoroacetyl-2-aminoethanol (CAS 6974-29-4), with molecular formula C4H6F3NO2 and molecular weight 157.04 g/mol. IUPAC: 2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide.
Chemical Property Profile of N-Trifluoroacetyl-2-aminoethanol
Property Insights of N-Trifluoroacetyl-2-aminoethanol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Trifluoroacetyl-2-aminoethanol. With a topological polar surface area (TPSA) of 49.3 Ų, N-Trifluoroacetyl-2-aminoethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Trifluoroacetyl-2-aminoethanol has 2 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 N-Trifluoroacetyl-2-aminoethanol?
The CAS number of N-Trifluoroacetyl-2-aminoethanol is 6974-29-4.
What is the molecular formula of N-Trifluoroacetyl-2-aminoethanol?
The molecular formula of N-Trifluoroacetyl-2-aminoethanol is C4H6F3NO2.
What is the molecular weight of N-Trifluoroacetyl-2-aminoethanol?
The molecular weight of N-Trifluoroacetyl-2-aminoethanol is 157.04 g/mol.
Where can I buy N-Trifluoroacetyl-2-aminoethanol?
You can request a quote for N-Trifluoroacetyl-2-aminoethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Trifluoroacetyl-2-aminoethanol?
Yes, KEHONG BIO provides custom synthesis services for N-Trifluoroacetyl-2-aminoethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.