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

C₁₃H₇F₂NOCAS 175204-07-6231.20 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₃H₇F₂NO
Molar mass: 231.20 g/mol
Exact mass: 231.0496 Da
logP: 3.63Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

175204-07-6

SMILES

C1=CC(=C(C(=C1)F)C#N)OC2=CC=C(C=C2)F

InChIKey

NOPNZSQHYZPSSX-UHFFFAOYSA-N

InChI

InChI=1S/C13H7F2NO/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H

Weigh it out

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

Work with 2-Fluoro-6-(4-fluorophenoxy)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-Fluoro-6-methoxybenzonitrile94088-46-758 % similar 2,6-Difluorobenzonitrile1897-52-555 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-651 % similar 2-Amino-6-fluorobenzonitrile77326-36-450 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-149 % similar 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-148 % similar 2-Chloro-6-fluorobenzonitrile668-45-147 % similar 2-Fluorodiphenyl ether124330-20-747 % similar

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

Elsewhere

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