Diethyl P-[(4-fluorophenyl)methyl]phosphonate

C₁₁H₁₆FO₃PCAS 63909-58-0246.22 g/mol

Open in Covalent MOL file

Halogen Phosphate

Properties

Molecular formula: C₁₁H₁₆FO₃P
Molar mass: 246.22 g/mol
Exact mass: 246.0821 Da
logP: 3.59Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Identifiers

CAS number

63909-58-0

SMILES

CCOP(=O)(Cc1ccc(F)cc1)OCC

InChIKey

FIYRZOAUPPNGAO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16FO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

Phosphonic acid, P-[(4-fluorophenyl)methyl]-, diethyl ester
Phosphonic acid, [(4-fluorophenyl)methyl]-, diethyl ester
Diethyl (p-fluorophenyl)methanephosphonate
Diethyl 4-fluorobenzylphosphonate
4-Fluorobenzylphosphonic acid diethyl ester
[(4-Fluorophenyl)methyl]phosphonic acid diethyl ester
1-(Diethoxyphosphorylmethyl)-4-fluorobenzene

Work with Diethyl P-[(4-fluorophenyl)methyl]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

Elsewhere

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