Chemical Properties of Fludioxonil (CAS 131341-86-1)

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

InChI Key

MUJOIMFVNIBMKC-UHFFFAOYSA-N

Formula

C12H6F2N2O2

SMILES

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

Molecular Weight¹

248.19

CAS

131341-86-1

Other Names

• 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
• Celeste
• Fludioxinil
• Geoxe
• Savior

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.21		Rytting...
logPoct/wat	2.393		Crippen Calculated Property
McVol	152.500	ml/mol	McGowan Calculated Property
Inp	[2169.00; 2169.00]
Inp	2169.00		NIST
Inp	2169.00		NIST

Similar Compounds

Find more compounds similar to Fludioxonil.

Sources

• Crippen Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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