2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole

C9H6BrFN2O — CID 171373540

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1cc(Br)ccc1Cc1nnco1
InChIInChI=1S/C9H6BrFN2O/c10-7-2-1-6(8(11)4-7)3-9-13-12-5-14-9/h1-2,4-5H,3H2
InChIKeyMESNABMWOBYWBI-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.56
Rot. Bonds2

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

2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 171373540) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID171373540
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESFc1cc(Br)ccc1Cc1nnco1
InChIInChI=1S/C9H6BrFN2O/c10-7-2-1-6(8(11)4-7)3-9-13-12-5-14-9/h1-2,4-5H,3H2
InChIKeyMESNABMWOBYWBI-UHFFFAOYSA-N
XLogP2.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-1,3-oxazole
CID 171846633
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5-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazole
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4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
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2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
2-[(4-bromo-2-fluorophenyl)methyl]pyridin-3-ol
CID 57265837
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
N-[(4-bromo-2-fluorophenyl)methyl]thiadiazol-5-amine
CID 107234481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 171373540) is 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole is Fc1cc(Br)ccc1Cc1nnco1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is MESNABMWOBYWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-7-2-1-6(8(11)4-7)3-9-13-12-5-14-9/h1-2,4-5H,3H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 257.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 171373540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).