[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate

C14H10F3IO3 — CID 23319454

IUPAC[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate
SMILESO=C(OI(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3IO3/c15-14(16,17)13(19)21-18(20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyPIQQZQXZVKNVAI-UHFFFAOYSA-N
MW410.13 g/mol
LogP4.13
Rot. Bonds3

About [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate

[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate (PubChem CID 23319454) has the molecular formula C14H10F3IO3 and a molecular weight of 410.13 g/mol. Its IUPAC name is [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate
PubChem CID23319454
Molecular FormulaC14H10F3IO3
Molecular Weight410.13 g/mol
Exact Mass409.96
IUPAC Name[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate
SMILESO=C(OI(=O)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3IO3/c15-14(16,17)13(19)21-18(20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyPIQQZQXZVKNVAI-UHFFFAOYSA-N
XLogP4.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.13
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate?
The IUPAC name of [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate (CID 23319454) is [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate is O=C(OI(=O)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate?
The InChIKey is PIQQZQXZVKNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IO3/c15-14(16,17)13(19)21-18(20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate?
[oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate has a molecular weight of 410.13 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [oxo(diphenyl)-λ5-iodanyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 23319454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).