diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium

C14H10F3O2S+ — CID 140825239

IUPACdiphenyl-(2,2,2-trifluoroacetyl)oxysulfanium
SMILESO=C(O[S+](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3O2S/c15-14(16,17)13(18)19-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyABCHZOQFOWNRLP-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.74
Rot. Bonds3

About diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium

diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium (PubChem CID 140825239) has the molecular formula C14H10F3O2S+ and a molecular weight of 299.29 g/mol. Its IUPAC name is diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium.

Molecular Properties

Compound Namediphenyl-(2,2,2-trifluoroacetyl)oxysulfanium
PubChem CID140825239
Molecular FormulaC14H10F3O2S+
Molecular Weight299.29 g/mol
Exact Mass299.03
IUPAC Namediphenyl-(2,2,2-trifluoroacetyl)oxysulfanium
SMILESO=C(O[S+](c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3O2S/c15-14(16,17)13(18)19-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyABCHZOQFOWNRLP-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium?
The IUPAC name of diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium (CID 140825239) is diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium.
What is the SMILES notation for diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium?
The canonical SMILES for diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium is O=C(O[S+](c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium?
The InChIKey is ABCHZOQFOWNRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3O2S/c15-14(16,17)13(18)19-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/q+1.
What are the key properties of diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium?
diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium has a molecular weight of 299.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2,2,2-trifluoroacetyl)oxysulfanium is sourced from PubChem (CID 140825239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).