3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole

C9H12F2N2O3 — CID 167782621

IUPAC3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)c1noc(COC2CCOC2)n1
InChIInChI=1S/C9H12F2N2O3/c1-9(10,11)8-12-7(16-13-8)5-15-6-2-3-14-4-6/h6H,2-5H2,1H3
InChIKeyWMHDBUQZMFEIET-UHFFFAOYSA-N
MW234.20 g/mol
LogP1.49
Rot. Bonds4

About 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole

3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole (PubChem CID 167782621) has the molecular formula C9H12F2N2O3 and a molecular weight of 234.20 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole
PubChem CID167782621
Molecular FormulaC9H12F2N2O3
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole
SMILESCC(F)(F)c1noc(COC2CCOC2)n1
InChIInChI=1S/C9H12F2N2O3/c1-9(10,11)8-12-7(16-13-8)5-15-6-2-3-14-4-6/h6H,2-5H2,1H3
InChIKeyWMHDBUQZMFEIET-UHFFFAOYSA-N
XLogP1.49
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole (CID 167782621) is 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole is CC(F)(F)c1noc(COC2CCOC2)n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole?
The InChIKey is WMHDBUQZMFEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3/c1-9(10,11)8-12-7(16-13-8)5-15-6-2-3-14-4-6/h6H,2-5H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole?
3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole has a molecular weight of 234.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-(oxolan-3-yloxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167782621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).