chempirical

2-Fluoro-6-phenoxybenzonitrile

C13H8FNOCAS 175204-06-5213.21 g/mol

Open in Covalent MOL file
OFN
Aryl halideEtherNitrile

Properties

Molecular formula
C13H8FNO
Molar mass
213.21 g/mol
Exact mass
213.0590 Da
logP
3.49Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
175204-06-5
SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N
InChIKey
FBHXELGUZCMKQY-UHFFFAOYSA-N
InChI
InChI=1S/C13H8FNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H

Weigh it out

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

Work with 2-Fluoro-6-phenoxybenzonitrile

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-methoxybenzonitrile94088-46-763 % similar 2-Fluorodiphenyl ether124330-20-761 % similar 2,6-Difluorobenzonitrile1897-52-560 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-655 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-153 % similar 2-Chloro-6-fluorobenzonitrile668-45-151 % similar 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-151 % similar 2-Cyano-3-fluorophenol140675-43-050 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook