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

C8H4BrFN2O — CID 107951352

IUPAC2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1c(Br)cccc1-c1nnco1
InChIInChI=1S/C8H4BrFN2O/c9-6-3-1-2-5(7(6)10)8-12-11-4-13-8/h1-4H
InChIKeyBLINCPAUTFIIKH-UHFFFAOYSA-N
MW243.03 g/mol
LogP2.64
Rot. Bonds1

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

2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 107951352) has the molecular formula C8H4BrFN2O and a molecular weight of 243.03 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID107951352
Molecular FormulaC8H4BrFN2O
Molecular Weight243.03 g/mol
Exact Mass241.95
IUPAC Name2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1c(Br)cccc1-c1nnco1
InChIInChI=1S/C8H4BrFN2O/c9-6-3-1-2-5(7(6)10)8-12-11-4-13-8/h1-4H
InChIKeyBLINCPAUTFIIKH-UHFFFAOYSA-N
XLogP2.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3,4-oxadiazol-2-yl)phenol
CID 13883
2-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 107949600
2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 142792757
2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
CID 107951358
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
CID 86810427
2-(2-fluoro-4-iodophenyl)-1,3,4-oxadiazole
CID 171373650
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 106704216
3-(3-bromo-2-fluorophenyl)pyridine
CID 67900310
2-(3-bromo-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107953427
1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107952684
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107955344

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole (CID 107951352) is 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole is Fc1c(Br)cccc1-c1nnco1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is BLINCPAUTFIIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2O/c9-6-3-1-2-5(7(6)10)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole?
2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 243.03 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107951352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).