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

C8H3Cl2FN2O — CID 62944891

IUPAC5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(Cl)n2)c(Cl)c1
InChIInChI=1S/C8H3Cl2FN2O/c9-6-3-4(11)1-2-5(6)7-12-8(10)14-13-7/h1-3H
InChIKeyDHNIVNKOPQZJRU-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.18
Rot. Bonds1

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

5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 62944891) has the molecular formula C8H3Cl2FN2O and a molecular weight of 233.03 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID62944891
Molecular FormulaC8H3Cl2FN2O
Molecular Weight233.03 g/mol
Exact Mass231.96
IUPAC Name5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(Cl)n2)c(Cl)c1
InChIInChI=1S/C8H3Cl2FN2O/c9-6-3-4(11)1-2-5(6)7-12-8(10)14-13-7/h1-3H
InChIKeyDHNIVNKOPQZJRU-UHFFFAOYSA-N
XLogP3.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole (CID 62944891) is 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(Cl)n2)c(Cl)c1.
What is the InChIKey of 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is DHNIVNKOPQZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2O/c9-6-3-4(11)1-2-5(6)7-12-8(10)14-13-7/h1-3H.
What are the key properties of 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole?
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 233.03 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62944891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).