chempirical

2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile

C14H10FNOSCAS 148901-52-4259.30 g/mol

Open in Covalent MOL file
SOFN
Aryl halideEtherNitrileSulfide

Properties

Molecular formula
C14H10FNOS
Molar mass
259.30 g/mol
Exact mass
259.0467 Da
logP
4.21Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
148901-52-4
SMILES
CSC1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N
InChIKey
KIJMTRJIUKHLPE-UHFFFAOYSA-N
InChI
InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3

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Work with 2-Fluoro-6-[4-(methylthio)phenoxy]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-methoxybenzonitrile94088-46-755 % similar 2,6-Difluorobenzonitrile1897-52-547 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-646 % similar 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-143 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-143 % similar 2-Chloro-6-fluorobenzonitrile668-45-142 % similar 2-Fluorodiphenyl ether124330-20-741 % similar 2-Cyano-3-fluorophenol140675-43-041 % similar

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

Elsewhere

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