2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole

C11H8BrFN2O — CID 62076840

IUPAC2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
SMILESFc1ccc(Br)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C11H8BrFN2O/c12-7-3-4-9(13)8(5-7)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2H2
InChIKeyLBFPBFZVDWVDBT-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.52
Rot. Bonds2

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

2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 62076840) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID62076840
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole
SMILESFc1ccc(Br)cc1-c1nnc(C2CC2)o1
InChIInChI=1S/C11H8BrFN2O/c12-7-3-4-9(13)8(5-7)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2H2
InChIKeyLBFPBFZVDWVDBT-UHFFFAOYSA-N
XLogP3.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole (CID 62076840) is 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole is Fc1ccc(Br)cc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is LBFPBFZVDWVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-7-3-4-9(13)8(5-7)11-15-14-10(16-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole?
2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 283.10 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 62076840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).