chempirical

(Triphenylphosphonio)difluoroacetate

C20H15F2O2PCAS 1449521-05-4356.31 g/mol

Open in Covalent MOL file
P+OO−FF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C20H15F2O2P
Molar mass
356.31 g/mol
Exact mass
356.0778 Da
logP
2.32Crippen estimate
Polar surface area
40.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
1449521-05-4
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C(C(=O)[O-])(F)F
InChIKey
STIBMNDFQNRAQX-UHFFFAOYSA-N
InChI
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2,2-Difluoro-2-triphenylphosphaniumylacetate

Work with (Triphenylphosphonio)difluoroacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(triphenylphosphine)iminium trifluoroacetate116405-43-747 % similar Ethyltriphenylphosphonium acetate35835-94-033 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-733 % similar (2-Carboxyethyl)triphenylphosphonium bromide51114-94-433 % similar Mercuric trifluoroacetate13257-51-732 % similar Thallium(III) trifluoroacetate23586-53-032 % similar Potassium trifluoroacetate2923-16-232 % similar Lithium trifluoroacetate2923-17-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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