2,2,2-Trifluoroethyl phosphate
TL;DR: 2,2,2-Trifluoroethyl phosphate (CAS 358-63-4) is a chemical compound with molecular formula C2H4F3O4P and molecular weight 179.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl dihydrogen phosphate
Also Known As: 2,2,2-Trifluoroethyl phosphate, 2,2,2-trifluoroethyl dihydrogen phosphate, (2,2,2-trifluoroethoxy)phosphonic acid, Phosphoric acid 2,2,2-trifluoroethyl ester, J2.142.190A
| Molecular Formula | C2H4F3O4P |
|---|---|
| Molecular Weight | 179.98 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.97993 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 358-63-4 |
|---|---|
| SMILES | C(C(F)(F)F)OP(=O)(O)O |
| InChIKey | DRVMZMGCPWFDBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoroethyl phosphate (CAS 358-63-4), with molecular formula C2H4F3O4P and molecular weight 179.98 g/mol. IUPAC: 2,2,2-trifluoroethyl dihydrogen phosphate.
Chemical Property Profile of 2,2,2-Trifluoroethyl phosphate
Property Insights of 2,2,2-Trifluoroethyl phosphate
The XLogP value of -0.4 indicates that 2,2,2-Trifluoroethyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl phosphate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl phosphate has 2 hydrogen bond donor(s) and 7 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 2,2,2-Trifluoroethyl phosphate?
The CAS number of 2,2,2-Trifluoroethyl phosphate is 358-63-4.
What is the molecular formula of 2,2,2-Trifluoroethyl phosphate?
The molecular formula of 2,2,2-Trifluoroethyl phosphate is C2H4F3O4P.
What is the molecular weight of 2,2,2-Trifluoroethyl phosphate?
The molecular weight of 2,2,2-Trifluoroethyl phosphate is 179.98 g/mol.
Where can I buy 2,2,2-Trifluoroethyl phosphate?
You can request a quote for 2,2,2-Trifluoroethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.