二(三氟乙酸)碘苯
TL;DR: 二(三氟乙酸)碘苯 (CAS 2712-78-9) is a chemical compound with molecular formula C10H5F6IO4 and molecular weight 429.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二(三氟乙酸)碘苯
[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
Also Known As: [Bis(trifluoroacetoxy)iodo]benzene|(Bis(trifluoroacetoxy)iodo)benzene|PIFA|TAIB cpd|BIITFAIB|BTIZ|zlchem 275|BIS(TRIFLUOROACETOXY)IODOBENZENE|PhI(OCOCF3)2|Bis(I,I-trifluoroacetoxy)iodobenzene|ACMC-1CS2X|iodobenzene bis(trifluoroacetate)|Phenylbis(trifluoroacetato-O)iodine|labotest-bb lt00454809|bis-trifluoroacetoxyiodobenzene|phenyliodine bis(trifluoroacetate)|Jsp005280|bis(trifluoroacetoxy)iodo-benzene|Iodine, phenylbis(trifluoroacetato-O)-|I,I-bis(trifluoroacetoxy)iodobenzene|phenyliodine(III) bis(trifluoroacetate)|Bis(trifluoroacetoxy)phenyl iodine|Iodobenzene I,I-bis(trifluoroacetate)|[bis(trifluoroacetoxyl)iodo]benzene|[bis(trifluoro-acetoxy)iodo]benzene|[bis(trifluoroacetoxy) iodo]benzene|[bis(trifluoroacetoxy)-iodo]benzene|[bis(trifluoroacetoxy)iodo] benzene|2-Chloro-N-pyridin-2-yl-acetamide|bis-[(trifluoroacetoxy)iodo]benzene|phenyliodonium bis(trifluoroacetate)|[bis(trifluoroacetoxyl)-iodo]benzene|I,I-bis(trifluoroacetate)iodobenzene|iodine, phenylbis(trifluoroacetato)-
| Molecular Formula | C10H5F6IO4 |
|---|---|
| Molecular Weight | 429.91 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.91367 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 2712-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F |
| InChIKey | PEZNEXFPRSOYPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二(三氟乙酸)碘苯 (CAS 2712-78-9), with molecular formula C10H5F6IO4 and molecular weight 429.91 g/mol. IUPAC: [phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl] 2,2,2-trifluoroacetate.
Chemical Property Profile of 二(三氟乙酸)碘苯
Property Insights of 二(三氟乙酸)碘苯
The XLogP value of 5.0 indicates that 二(三氟乙酸)碘苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 二(三氟乙酸)碘苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二(三氟乙酸)碘苯 has 0 hydrogen bond donor(s) and 10 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 二(三氟乙酸)碘苯?
The CAS number of 二(三氟乙酸)碘苯 is 2712-78-9.
What is the molecular formula of 二(三氟乙酸)碘苯?
The molecular formula of 二(三氟乙酸)碘苯 is C10H5F6IO4.
What is the molecular weight of 二(三氟乙酸)碘苯?
The molecular weight of 二(三氟乙酸)碘苯 is 429.91 g/mol.
Where can I buy 二(三氟乙酸)碘苯?
You can request a quote for 二(三氟乙酸)碘苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二(三氟乙酸)碘苯?
Yes, KEHONG BIO provides custom synthesis services for 二(三氟乙酸)碘苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.