3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol

C8H4F2N2O2 — CID 138112772

IUPAC3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol
SMILESOc1cc(F)c(-c2ncon2)c(F)c1
InChIInChI=1S/C8H4F2N2O2/c9-5-1-4(13)2-6(10)7(5)8-11-3-14-12-8/h1-3,13H
InChIKeyWUKSOLWPHPQFGX-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.72
Rot. Bonds1

About 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol

3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol (PubChem CID 138112772) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol
PubChem CID138112772
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol
SMILESOc1cc(F)c(-c2ncon2)c(F)c1
InChIInChI=1S/C8H4F2N2O2/c9-5-1-4(13)2-6(10)7(5)8-11-3-14-12-8/h1-3,13H
InChIKeyWUKSOLWPHPQFGX-UHFFFAOYSA-N
XLogP1.72
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol (CID 138112772) is 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol is Oc1cc(F)c(-c2ncon2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is WUKSOLWPHPQFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-5-1-4(13)2-6(10)7(5)8-11-3-14-12-8/h1-3,13H.
What are the key properties of 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol?
3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 198.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 138112772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).