[phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate

C16H10F6I2O5 — CID 53230456

IUPAC[phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
SMILESO=C(OI(OI(OC(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10F6I2O5/c17-15(18,19)13(25)27-23(11-7-3-1-4-8-11)29-24(12-9-5-2-6-10-12)28-14(26)16(20,21)22/h1-10H
InChIKeyMUEVYQVXRXXFSB-UHFFFAOYSA-N
MW650.05 g/mol
LogP5.63
Rot. Bonds6

About [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate

[phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate (PubChem CID 53230456) has the molecular formula C16H10F6I2O5 and a molecular weight of 650.05 g/mol. Its IUPAC name is [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
PubChem CID53230456
Molecular FormulaC16H10F6I2O5
Molecular Weight650.05 g/mol
Exact Mass649.85
IUPAC Name[phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate
SMILESO=C(OI(OI(OC(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10F6I2O5/c17-15(18,19)13(25)27-23(11-7-3-1-4-8-11)29-24(12-9-5-2-6-10-12)28-14(26)16(20,21)22/h1-10H
InChIKeyMUEVYQVXRXXFSB-UHFFFAOYSA-N
XLogP5.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.05
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate?
The IUPAC name of [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate (CID 53230456) is [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate is O=C(OI(OI(OC(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate?
The InChIKey is MUEVYQVXRXXFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6I2O5/c17-15(18,19)13(25)27-23(11-7-3-1-4-8-11)29-24(12-9-5-2-6-10-12)28-14(26)16(20,21)22/h1-10H.
What are the key properties of [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate?
[phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate has a molecular weight of 650.05 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-[phenyl-(2,2,2-trifluoroacetyl)oxy-λ3-iodanyl]oxy-λ3-iodanyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 53230456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).