3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole

C6H6ClF3N2O2 — CID 103211795

IUPAC3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COCCc1nc(Cl)no1
InChIInChI=1S/C6H6ClF3N2O2/c7-5-11-4(14-12-5)1-2-13-3-6(8,9)10/h1-3H2
InChIKeyWLKXWIGPQOJABP-UHFFFAOYSA-N
MW230.57 g/mol
LogP1.84
Rot. Bonds4

About 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole

3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 103211795) has the molecular formula C6H6ClF3N2O2 and a molecular weight of 230.57 g/mol. Its IUPAC name is 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
PubChem CID103211795
Molecular FormulaC6H6ClF3N2O2
Molecular Weight230.57 g/mol
Exact Mass230.01
IUPAC Name3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
SMILESFC(F)(F)COCCc1nc(Cl)no1
InChIInChI=1S/C6H6ClF3N2O2/c7-5-11-4(14-12-5)1-2-13-3-6(8,9)10/h1-3H2
InChIKeyWLKXWIGPQOJABP-UHFFFAOYSA-N
XLogP1.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.57
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-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-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole (CID 103211795) is 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole is FC(F)(F)COCCc1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is WLKXWIGPQOJABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O2/c7-5-11-4(14-12-5)1-2-13-3-6(8,9)10/h1-3H2.
What are the key properties of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole?
3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 230.57 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 103211795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).