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

C8H4ClFN2O — CID 86810427

IUPAC2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(Cl)ccc1-c1nnco1
InChIInChI=1S/C8H4ClFN2O/c9-5-1-2-6(7(10)3-5)8-12-11-4-13-8/h1-4H
InChIKeyQSKOPXOPCFHULF-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.53
Rot. Bonds1

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

2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 86810427) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID86810427
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(Cl)ccc1-c1nnco1
InChIInChI=1S/C8H4ClFN2O/c9-5-1-2-6(7(10)3-5)8-12-11-4-13-8/h1-4H
InChIKeyQSKOPXOPCFHULF-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole (CID 86810427) is 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole is Fc1cc(Cl)ccc1-c1nnco1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is QSKOPXOPCFHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-5-1-2-6(7(10)3-5)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole?
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 198.58 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 86810427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).