3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole

C9H11F4N3O — CID 79660117

IUPAC3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)C(F)(F)c1nc(C2CCNCC2)no1
InChIInChI=1S/C9H11F4N3O/c10-7(11)9(12,13)8-15-6(16-17-8)5-1-3-14-4-2-5/h5,7,14H,1-4H2
InChIKeyQWFDNRAYGPKTPF-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.89
Rot. Bonds3

About 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole

3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole (PubChem CID 79660117) has the molecular formula C9H11F4N3O and a molecular weight of 253.20 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
PubChem CID79660117
Molecular FormulaC9H11F4N3O
Molecular Weight253.20 g/mol
Exact Mass253.08
IUPAC Name3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)C(F)(F)c1nc(C2CCNCC2)no1
InChIInChI=1S/C9H11F4N3O/c10-7(11)9(12,13)8-15-6(16-17-8)5-1-3-14-4-2-5/h5,7,14H,1-4H2
InChIKeyQWFDNRAYGPKTPF-UHFFFAOYSA-N
XLogP1.89
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-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-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole (CID 79660117) is 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole is FC(F)C(F)(F)c1nc(C2CCNCC2)no1.
What is the InChIKey of 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole?
The InChIKey is QWFDNRAYGPKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3O/c10-7(11)9(12,13)8-15-6(16-17-8)5-1-3-14-4-2-5/h5,7,14H,1-4H2.
What are the key properties of 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole?
3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole has a molecular weight of 253.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79660117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).