chempirical

Triethyl 2-fluoro-2-phosphonoacetate

C8H16FO5PCAS 2356-16-3242.18 g/mol

Open in Covalent MOL file
OOFPOOO
Alkyl halideEsterPhosphonate

Properties

Molecular formula
C8H16FO5P
Molar mass
242.18 g/mol
Exact mass
242.0719 Da
logP
2.11Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

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
2356-16-3
SMILES
CCOC(=O)C(F)P(=O)(OCC)OCC
InChIKey
FVPISMANESAJQZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16FO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3

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Work with Triethyl 2-fluoro-2-phosphonoacetate

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

Triethyl 2-phosphonopropionate3699-66-963 % similar Diethyl fluoromalonate685-88-156 % similar Ethyl 2-fluoropropionate127306-59-653 % similar Ethyl 2-fluoropropionate349-43-953 % similar Ethyl difluoroacetate454-31-952 % similar Ethyl 2-[bis(2,2,2-trifluoroethyl)phosphono] propionate107905-52-249 % similar Ethyl 2-fluoro-3-oxobutanoate1522-41-449 % similar Ethyl chlorofluoroacetate401-56-949 % similar

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

Elsewhere

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