2-Fluoro-6-(4-methylbenzyloxy)benzonitrile

C₁₅H₁₂FNOCAS 175204-09-8241.27 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₅H₁₂FNO
Molar mass: 241.27 g/mol
Exact mass: 241.0903 Da
logP: 3.58Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

175204-09-8

SMILES

CC1=CC=C(C=C1)COC2=C(C(=CC=C2)F)C#N

InChIKey

PYDSAKVFHVQAAD-UHFFFAOYSA-N

InChI

InChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3

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Work with 2-Fluoro-6-(4-methylbenzyloxy)benzonitrile

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

2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-174 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-656 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-755 % similar 2,6-Difluorobenzonitrile1897-52-547 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-143 % similar 2-Chloro-6-fluorobenzonitrile668-45-142 % similar 2-Cyano-3-fluorophenol140675-43-041 % similar 2-Amino-6-fluorobenzonitrile77326-36-441 % similar

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

Elsewhere

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