Fluconazole 3D structure

Fluconazole (also called Diflucan, Triflucan) has the formula C13H12F2N6O and a molar mass of 306.27 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C13H12F2N6O
Molar mass
306.27 g/mol
PubChem CID
3365
Heavy atoms
22
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESC1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
PubChem CID3365
Other namesDiflucan, Triflucan, Biozolene, Elazor, Fluconazol

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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