Flucythrinate

C₂₆H₂₃F₂NO₄CAS 70124-77-5451.47 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ether Nitrile

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)
Water solubility: 60 µg/L (25 °C)
logP: 6.63Crippen estimate
Polar surface area: 68.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 9

Hazards

Danger

H226 Flammable liquid and vapor71.4% of notifiers
H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin96.6% of notifiers
H330 Fatal if inhaled72.8% of notifiers
H331 Toxic if inhaled26.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure70.7% of notifiers
H400 Very toxic to aquatic life98% of notifiers
H410 Very toxic to aquatic life with long lasting effects98% of notifiers

Aggregated from 147 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P317, P319, P320, P321, P330, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

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

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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