2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole

C9H8F2N2O2 — CID 170733933

IUPAC2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCCc1cc(-c2nnc(C(F)F)o2)co1
InChIInChI=1S/C9H8F2N2O2/c1-2-6-3-5(4-14-6)8-12-13-9(15-8)7(10)11/h3-4,7H,2H2,1H3
InChIKeyCTWIDBJUHDDBSV-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.83
Rot. Bonds3

About 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 170733933) has the molecular formula C9H8F2N2O2 and a molecular weight of 214.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID170733933
Molecular FormulaC9H8F2N2O2
Molecular Weight214.17 g/mol
Exact Mass214.06
IUPAC Name2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole
SMILESCCc1cc(-c2nnc(C(F)F)o2)co1
InChIInChI=1S/C9H8F2N2O2/c1-2-6-3-5(4-14-6)8-12-13-9(15-8)7(10)11/h3-4,7H,2H2,1H3
InChIKeyCTWIDBJUHDDBSV-UHFFFAOYSA-N
XLogP2.83
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-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 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole (CID 170733933) is 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole is CCc1cc(-c2nnc(C(F)F)o2)co1.
What is the InChIKey of 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is CTWIDBJUHDDBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2/c1-2-6-3-5(4-14-6)8-12-13-9(15-8)7(10)11/h3-4,7H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 214.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(5-ethylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 170733933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).