chempirical

2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile

C14H9ClFNOCAS 175204-10-1261.68 g/mol

Open in Covalent MOL file
NFOCl
Aryl halideEtherNitrile

Properties

Molecular formula
C14H9ClFNO
Molar mass
261.68 g/mol
Exact mass
261.0357 Da
logP
3.93Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
175204-10-1
SMILES
N#Cc1c(F)cccc1OCc1ccc(Cl)cc1
InChIKey
UCZCRTPNBWBCBM-UHFFFAOYSA-N
InChI
InChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2

Weigh it out

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

Names and synonyms

3 names
  • Benzonitrile, 2-[(4-chlorophenyl)methoxy]-6-fluoro-
  • 2-Fluoro-6-(4-chlorobenzyloxy)benzonitrile
  • 2-((4-Chlorobenzyl)oxy)-6-fluorobenzonitrile

Work with 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile

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-(2,2,2-trifluoroethoxy)benzonitrile119584-74-657 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-752 % similar 2,6-Difluorobenzonitrile1897-52-549 % similar 2-Chloro-6-fluorobenzonitrile668-45-146 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-144 % similar 2-Cyano-3-fluorophenol140675-43-042 % similar 2-Amino-6-fluorobenzonitrile77326-36-442 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-340 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook