Molecular properties
- Formula
- C12H6F2N2O2
- Molar mass
- 248.19 g·mol−1
- Exact mass
- 248.0397 Da
- 10
- PubChem CID
- 86398
Molecule record
4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
C12H6F2N2O2
248.19 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Ether
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 131341-86-1
- 1H-Pyrrole-3-carbonitrile, 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-
- 3-(2,2-DIFLUOROBENZODIOXOL-4-YL)-4-CYANOPYRROLE
- 4-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile
- 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
- 603-476-3
- C12H6F2N2O2
- CGA-173506
Show all 24 synonyms
- CHEBI:81763
- Celest
- DTXCID0012398
- DTXSID2032398
- ENS9J0YM16
- Fludioxinil
- Fludioxonil
- Fludioxonil [ISO]
- Geoxe
- MEDALLION
- MFCD01631158
- Maxim
- RefChem:140816
- Savior
- Scholar
- fludioxonil (ISO); 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2
- Isomeric SMILES
- C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#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
- InChIKey
- MUJOIMFVNIBMKC-UHFFFAOYSA-N
- PubChem CID
- 86398
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.