2,2-difluoro-2-triphenylphosphaniumylacetate

C20H15F2O2P — CID 71812679

IUPAC2,2-difluoro-2-triphenylphosphaniumylacetate
SMILESO=C([O-])C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F2O2P/c21-20(22,19(23)24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeySTIBMNDFQNRAQX-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.32
Rot. Bonds5

About 2,2-difluoro-2-triphenylphosphaniumylacetate

2,2-difluoro-2-triphenylphosphaniumylacetate (PubChem CID 71812679) has the molecular formula C20H15F2O2P and a molecular weight of 356.31 g/mol. Its IUPAC name is 2,2-difluoro-2-triphenylphosphaniumylacetate.

Molecular Properties

Compound Name2,2-difluoro-2-triphenylphosphaniumylacetate
PubChem CID71812679
Molecular FormulaC20H15F2O2P
Molecular Weight356.31 g/mol
Exact Mass356.08
IUPAC Name2,2-difluoro-2-triphenylphosphaniumylacetate
SMILESO=C([O-])C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15F2O2P/c21-20(22,19(23)24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeySTIBMNDFQNRAQX-UHFFFAOYSA-N
XLogP2.32
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-triphenylphosphaniumylacetate?
The IUPAC name of 2,2-difluoro-2-triphenylphosphaniumylacetate (CID 71812679) is 2,2-difluoro-2-triphenylphosphaniumylacetate.
What is the SMILES notation for 2,2-difluoro-2-triphenylphosphaniumylacetate?
The canonical SMILES for 2,2-difluoro-2-triphenylphosphaniumylacetate is O=C([O-])C(F)(F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-triphenylphosphaniumylacetate?
The InChIKey is STIBMNDFQNRAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2O2P/c21-20(22,19(23)24)25(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of 2,2-difluoro-2-triphenylphosphaniumylacetate?
2,2-difluoro-2-triphenylphosphaniumylacetate has a molecular weight of 356.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-triphenylphosphaniumylacetate is sourced from PubChem (CID 71812679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).