2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole

C3HBrF2N2O — CID 75525558

IUPAC2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(Br)o1
InChIInChI=1S/C3HBrF2N2O/c4-3-8-7-2(9-3)1(5)6/h1H
InChIKeyYZDADKMPMYFCQG-UHFFFAOYSA-N
MW198.95 g/mol
LogP1.77
Rot. Bonds1

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

2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 75525558) has the molecular formula C3HBrF2N2O and a molecular weight of 198.95 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID75525558
Molecular FormulaC3HBrF2N2O
Molecular Weight198.95 g/mol
Exact Mass197.92
IUPAC Name2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(Br)o1
InChIInChI=1S/C3HBrF2N2O/c4-3-8-7-2(9-3)1(5)6/h1H
InChIKeyYZDADKMPMYFCQG-UHFFFAOYSA-N
XLogP1.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.95
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole (CID 75525558) is 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is YZDADKMPMYFCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrF2N2O/c4-3-8-7-2(9-3)1(5)6/h1H.
What are the key properties of 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole?
2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 198.95 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 75525558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).