Triethyl 2-fluoro-2-phosphonoacetate

C₈H₁₆FO₅PCAS 2356-16-3242.18 g/mol

Open in Covalent MOL file

Alkyl halide Ester Phosphonate

Properties

Molecular formula: C₈H₁₆FO₅P
Molar mass: 242.18 g/mol
Exact mass: 242.0719 Da
logP: 2.11Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation96.5% of notifiers
H319 Causes serious eye irritation96.5% of notifiers
H335 May cause respiratory irritation94.7% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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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