chempirical

Flucythrinate

C26H23F2NO4CAS 70124-77-5451.47 g/mol

Open in Covalent MOL file
OONOOFF
Alkyl halideEsterEtherNitrile

Properties

Molecular formula
C26H23F2NO4
Molar mass
451.47 g/mol
Exact mass
451.1595 Da
Density
1.189 g/mL (at 22 °C)
Melting point
below 25 °C
Boiling point
108 °C (at 0.35 Torr)
logP
6.63Crippen estimate
Polar surface area
68.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
9

Identifiers

CAS number
70124-77-5
SMILES
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1
InChIKey
GBIHOLCMZGAKNG-UHFFFAOYSA-N
InChI
InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
  • AC 222705
  • CyBolt
  • Pay-off
  • Fluorocythrin
  • α-Cyano-3-phenoxybenzyl 2-[p-(difluoromethoxy)phenyl]isovalerate
  • Flucythrinate I
  • Flucythrinate II

Work with Flucythrinate

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

Fenvalerate51630-58-177 % similar Esfenvalerate66230-04-477 % similar Fenpropathrin39515-41-858 % similar Fenpropathrin64257-84-758 % similar Tau-fluvalinate102851-06-951 % similar Cyphenothrin39515-40-750 % similar Cypermethrin52315-07-849 % similar Deltamethrin52918-63-549 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia