chempirical

Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate

C7H9F6O5PCAS 88738-78-7318.11 g/mol

Open in Covalent MOL file
OOPOOFFFOFFF
Alkyl halideEsterPhosphonate

Properties

Molecular formula
C7H9F6O5P
Molar mass
318.11 g/mol
Exact mass
318.0092 Da
logP
2.51Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
88738-78-7
SMILES
COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIKey
PVSJXEDBEXYLML-UHFFFAOYSA-N
InChI
InChI=1S/C7H9F6O5P/c1-16-5(14)2-19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3

Weigh it out

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

Work with Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate

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

Methyl (diethylphosphono)acetate1067-74-960 % similar Trimethyl phosphonoacetate5927-18-456 % similar Tris(2,2,2-trifluoroethyl)phosphate358-63-441 % similar Triethyl phosphonoacetate867-13-041 % similar tert-Butyl diethylphosphonoacetate27784-76-540 % similar Dimethyl glutarate1119-40-039 % similar tert-Butyl Dimethylphosphonoacetate62327-21-339 % similar Methyl 4,4,4-trifluoroacetoacetate83643-84-938 % similar

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

Elsewhere

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