Fludioxonil

C₁₂H₆F₂N₂O₂CAS 131341-86-1248.19 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Nitrile

Properties

Molecular formula: C₁₂H₆F₂N₂O₂
Molar mass: 248.19 g/mol
Exact mass: 248.0397 Da
Density: 1.54 g/mL (at 20 °C)
Melting point: 199.8 °C
Water solubility: 1.8 mg/L (25 °C)
logP: 2.87Crippen estimate
Polar surface area: 58.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 608-069-00-4), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

131341-86-1

SMILES

N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2

InChIKey

MUJOIMFVNIBMKC-UHFFFAOYSA-N

InChI

InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H

Weigh it out

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

Names and synonyms

17 names · show all

1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
CGA 173506
Maxim
Celeste
Beret gold
Savior
Maxim (pesticide)
Scholar
Geoxe
Saphire
Maxim PSP
Seibia
Maxim 4FS
Spirato 480 FS
Spirato
Maxin XL

Work with Fludioxonil

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

4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-743 % similar 4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-442 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-141 % similar (R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine1213203-92-940 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-440 % similar 2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde119895-68-040 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-237 % similar 2,2-Difluoro-1,3-benzodioxole-4-carbonyl chloride143096-86-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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