3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one

C9H6F2N2O2 — CID 170424142

IUPAC3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one
SMILESCc1ccc(F)c(F)c1-c1noc(=O)[nH]1
InChIInChI=1S/C9H6F2N2O2/c1-4-2-3-5(10)7(11)6(4)8-12-9(14)15-13-8/h2-3H,1H3,(H,12,13,14)
InChIKeyZQRALHKELACJQV-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.62
Rot. Bonds1

About 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one

3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 170424142) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one
PubChem CID170424142
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one
SMILESCc1ccc(F)c(F)c1-c1noc(=O)[nH]1
InChIInChI=1S/C9H6F2N2O2/c1-4-2-3-5(10)7(11)6(4)8-12-9(14)15-13-8/h2-3H,1H3,(H,12,13,14)
InChIKeyZQRALHKELACJQV-UHFFFAOYSA-N
XLogP1.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one (CID 170424142) is 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one is Cc1ccc(F)c(F)c1-c1noc(=O)[nH]1.
What is the InChIKey of 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one?
The InChIKey is ZQRALHKELACJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c1-4-2-3-5(10)7(11)6(4)8-12-9(14)15-13-8/h2-3H,1H3,(H,12,13,14).
What are the key properties of 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one?
3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 212.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-methylphenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 170424142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).