3,3,3-Trifluoro-1,1,1-trihydroxyacetone
TL;DR: 3,3,3-Trifluoro-1,1,1-trihydroxyacetone (CAS 431-72-1) is a chemical compound with molecular formula C3H3F3O4 and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3,3,3-trihydroxypropan-2-one
Also Known As: Trifluoropyruvic acid monohydrate, 3,3,3-trifluoro-1,1,1-trihydroxyacetone, 1,1,1-trifluoro-3,3,3-trihydroxypropan-2-one, K-8897, 1,1,1-trifluoro-3,3,3-trihydroxy-propan-2-one
| Molecular Formula | C3H3F3O4 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | -1.2515 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.99834 |
| Heavy Atoms | 10 |
| Complexity | 126.80726 |
Chemical Identifiers
| CAS Number | 431-72-1 |
|---|---|
| SMILES | C(=O)(C(O)(O)O)C(F)(F)F |
Product Overview
3,3,3-Trifluoro-1,1,1-trihydroxyacetone (CAS 431-72-1), with molecular formula C3H3F3O4 and molecular weight 160.00 g/mol. IUPAC: 1,1,1-trifluoro-3,3,3-trihydroxypropan-2-one.
Chemical Property Profile of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone
Property Insights of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone
The XLogP value of -1.2515 indicates that 3,3,3-Trifluoro-1,1,1-trihydroxyacetone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,3-Trifluoro-1,1,1-trihydroxyacetone. Following Lipinski's Rule of Five, 3,3,3-Trifluoro-1,1,1-trihydroxyacetone has 3 hydrogen bond donor(s) and 4 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-1,1,1-trihydroxyacetone?
The CAS number of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone is 431-72-1.
What is the molecular formula of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone?
The molecular formula of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone is C3H3F3O4.
What is the molecular weight of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone?
The molecular weight of 3,3,3-Trifluoro-1,1,1-trihydroxyacetone is 160.00 g/mol.
Where can I buy 3,3,3-Trifluoro-1,1,1-trihydroxyacetone?
You can request a quote for 3,3,3-Trifluoro-1,1,1-trihydroxyacetone 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-1,1,1-trihydroxyacetone?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trifluoro-1,1,1-trihydroxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.