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

C3BrF3N2O — CID 53416664

IUPAC2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(Br)o1
InChIInChI=1S/C3BrF3N2O/c4-2-9-8-1(10-2)3(5,6)7
InChIKeyRKLVCPKICSZBEV-UHFFFAOYSA-N
MW216.94 g/mol
LogP1.85
Rot. Bonds

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

2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 53416664) has the molecular formula C3BrF3N2O and a molecular weight of 216.94 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID53416664
Molecular FormulaC3BrF3N2O
Molecular Weight216.94 g/mol
Exact Mass215.91
IUPAC Name2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(Br)o1
InChIInChI=1S/C3BrF3N2O/c4-2-9-8-1(10-2)3(5,6)7
InChIKeyRKLVCPKICSZBEV-UHFFFAOYSA-N
XLogP1.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.94
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 53416664) is 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is RKLVCPKICSZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrF3N2O/c4-2-9-8-1(10-2)3(5,6)7.
What are the key properties of 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 216.94 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53416664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).