2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole

C10H8ClFN2O — CID 71563526

IUPAC2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(F)cccc2Cl)o1
InChIInChI=1S/C10H8ClFN2O/c1-2-8-13-14-10(15-8)9-6(11)4-3-5-7(9)12/h3-5H,2H2,1H3
InChIKeyARAJJUKTNXBAGV-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.09
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole

2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 71563526) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole
PubChem CID71563526
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2c(F)cccc2Cl)o1
InChIInChI=1S/C10H8ClFN2O/c1-2-8-13-14-10(15-8)9-6(11)4-3-5-7(9)12/h3-5H,2H2,1H3
InChIKeyARAJJUKTNXBAGV-UHFFFAOYSA-N
XLogP3.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole (CID 71563526) is 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2c(F)cccc2Cl)o1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is ARAJJUKTNXBAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-2-8-13-14-10(15-8)9-6(11)4-3-5-7(9)12/h3-5H,2H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole?
2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 226.64 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 71563526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).