Phosphonic acid, [[5-(3-fluorophenyl)-2-pyridinyl]methyl]-, diethyl ester

C₁₆H₁₉FNO₃PCAS 380894-77-9323.30 g/mol

Open in Covalent MOL file

Aryl halide Phosphonate

Properties

Molecular formula: C₁₆H₁₉FNO₃P
Molar mass: 323.30 g/mol
Exact mass: 323.1087 Da
logP: 4.65Crippen estimate
Polar surface area: 48.4 Å²
H-bond donors / acceptors: 0 / 4
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

380894-77-9

SMILES

CCOP(=O)(CC1=NC=C(C=C1)C2=CC(=CC=C2)F)OCC

InChIKey

CPOPYWOLIYKTLP-UHFFFAOYSA-N

InChI

InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-16-9-8-14(11-18-16)13-6-5-7-15(17)10-13/h5-11H,3-4,12H2,1-2H3

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Work with Phosphonic acid, [[5-(3-fluorophenyl)-2-pyridinyl]methyl]-, diethyl ester

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

Diethyl P-[(4-fluorophenyl)methyl]phosphonate63909-58-048 % similar Diethyl P-(phenylmethyl)phosphonate1080-32-646 % similar Tetraethyl ((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(phosphonate)17919-34-545 % similar 4,4'-Bis(diethylmethylphosphonate)-2,2'-bipyridine176220-38-542 % similar 9,10-Bis(diethylphosphonomethyl)anthracene60974-92-742 % similar P,P,P′,P′-Tetraethyl P,P′-[1,4-phenylenebis(methylene)]bis[phosphonate]4546-04-741 % similar (3-Methoxybenzyl)phosphonic acid diethyl ester60815-18-141 % similar Diethyl P-[(4-chlorophenyl)methyl]phosphonate39225-17-739 % similar

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

Elsewhere

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