chempirical

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

C14H10FNOCAS 175204-08-7227.24 g/mol

Open in Covalent MOL file
OFN
Aryl halideEtherNitrile

Properties

Molecular formula
C14H10FNO
Molar mass
227.24 g/mol
Exact mass
227.0746 Da
logP
3.80Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
175204-08-7
SMILES
CC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N
InChIKey
JLTWAYPSQIKWIL-UHFFFAOYSA-N
InChI
InChI=1S/C14H10FNO/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3

Weigh it out

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

Work with 2-Fluoro-6-(4-methylphenoxy)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-methoxybenzonitrile94088-46-759 % similar 2,6-Difluorobenzonitrile1897-52-551 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-649 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-146 % similar 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-146 % similar 2-Chloro-6-fluorobenzonitrile668-45-145 % similar 2-Fluorodiphenyl ether124330-20-745 % similar 2-Cyano-3-fluorophenol140675-43-044 % similar

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

Elsewhere

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