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

C8H5FN2O — CID 15152672

IUPAC2-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnco1
InChIInChI=1S/C8H5FN2O/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H
InChIKeyIIHYMHNZQMPNNH-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.88
Rot. Bonds1

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

2-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 15152672) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID15152672
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnco1
InChIInChI=1S/C8H5FN2O/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H
InChIKeyIIHYMHNZQMPNNH-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-1,3,4-oxadiazole (CID 15152672) is 2-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnco1.
What is the InChIKey of 2-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is IIHYMHNZQMPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-7-4-2-1-3-6(7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(2-fluorophenyl)-1,3,4-oxadiazole?
2-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 164.14 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 15152672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).