(diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate

C14H10F3IO2 — CID 14936373

IUPAC(diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate
SMILESO=C(OI(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3IO2/c15-14(16,17)13(19)20-18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyKYLXYSWUYYPCHF-UHFFFAOYSA-N
MW394.13 g/mol
LogP4.25
Rot. Bonds3

About (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate

(diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate (PubChem CID 14936373) has the molecular formula C14H10F3IO2 and a molecular weight of 394.13 g/mol. Its IUPAC name is (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate
PubChem CID14936373
Molecular FormulaC14H10F3IO2
Molecular Weight394.13 g/mol
Exact Mass393.97
IUPAC Name(diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate
SMILESO=C(OI(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3IO2/c15-14(16,17)13(19)20-18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyKYLXYSWUYYPCHF-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.13
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate?
The IUPAC name of (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate (CID 14936373) is (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate is O=C(OI(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate?
The InChIKey is KYLXYSWUYYPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IO2/c15-14(16,17)13(19)20-18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate?
(diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate has a molecular weight of 394.13 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (diphenyl-lambda3-iodanyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 14936373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).