(2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate
TL;DR: (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate (CAS 684-78-6) is a chemical compound with molecular formula C4HF6NO3 and molecular weight 224.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate
Also Known As: N,O-Bis(trifluoroacetyl)hydroxylamine, 2,2,2-Trifluoro-N-(2,2,2-trifluoroacetoxy)acetamide, C4HF6NO3, 3(2H)-Isothiazolone, N,O-BIS HYDROXYLAMINE
| Molecular Formula | C4HF6NO3 |
|---|---|
| Molecular Weight | 224.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.98607 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 684-78-6 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)NOC(=O)C(F)(F)F |
| InChIKey | CYSAMXITKBXZOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate (CAS 684-78-6), with molecular formula C4HF6NO3 and molecular weight 224.99 g/mol. IUPAC: [(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate.
Chemical Property Profile of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate
Property Insights of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate. With a topological polar surface area (TPSA) of 55.4 Ų, (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate has 1 hydrogen bond donor(s) and 9 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-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate?
The CAS number of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate is 684-78-6.
What is the molecular formula of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate?
The molecular formula of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate is C4HF6NO3.
What is the molecular weight of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate?
The molecular weight of (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate is 224.99 g/mol.
Where can I buy (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate?
You can request a quote for (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate 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-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.