1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

C₁₅H₁₀FNOCAS 64169-67-1239.25 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₅H₁₀FNO
Molar mass: 239.25 g/mol
Exact mass: 239.0746 Da
Melting point: 95–97 °C
logP: 3.32Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

64169-67-1

SMILES

N#Cc1ccc2c(c1)COC2c1ccc(F)cc1

InChIKey

YXCRMKYHFFMNPT-UHFFFAOYSA-N

InChI

InChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2

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Names and synonyms

6 names

5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-
1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
LU 17-046
5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran
1-(4-Fluorophenyl)-5-cyanophthalan
1-(4-Fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

Work with 1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

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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