chempirical

Fludioxonil

C12H6F2N2O2CAS 131341-86-1248.19 g/mol

Open in Covalent MOL file
NHNOFFO
AcetalAlkyl halideEtherNitrile

Properties

Molecular formula
C12H6F2N2O2
Molar mass
248.19 g/mol
Exact mass
248.0397 Da
Melting point
199.8 °C
logP
2.87Crippen estimate
Polar surface area
58.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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.

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-1,3-benzodioxole-4-carboxaldehyde119895-68-040 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-237 % similar 2,3-Dimethoxybenzonitrile5653-62-336 % similar

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

Elsewhere

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