4-bromo-2-(trifluoromethyl)-1,3-oxazole

C4HBrF3NO — CID 84681484

IUPAC4-bromo-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1nc(Br)co1
InChIInChI=1S/C4HBrF3NO/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChIKeyRPVZHCGMNCOGDJ-UHFFFAOYSA-N
MW215.96 g/mol
LogP2.46
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)-1,3-oxazole

4-bromo-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 84681484) has the molecular formula C4HBrF3NO and a molecular weight of 215.96 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)-1,3-oxazole
PubChem CID84681484
Molecular FormulaC4HBrF3NO
Molecular Weight215.96 g/mol
Exact Mass214.92
IUPAC Name4-bromo-2-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1nc(Br)co1
InChIInChI=1S/C4HBrF3NO/c5-2-1-10-3(9-2)4(6,7)8/h1H
InChIKeyRPVZHCGMNCOGDJ-UHFFFAOYSA-N
XLogP2.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.96
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(trifluoromethyl)-1,3-oxazole (CID 84681484) is 4-bromo-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1nc(Br)co1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is RPVZHCGMNCOGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrF3NO/c5-2-1-10-3(9-2)4(6,7)8/h1H.
What are the key properties of 4-bromo-2-(trifluoromethyl)-1,3-oxazole?
4-bromo-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 215.96 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 84681484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).