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

C5H4BrF2NO — CID 84782184

IUPAC4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole
SMILESCC(F)(F)c1nc(Br)co1
InChIInChI=1S/C5H4BrF2NO/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3
InChIKeyLVNIKTRGJFIXDX-UHFFFAOYSA-N
MW211.99 g/mol
LogP2.55
Rot. Bonds1

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

4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole (PubChem CID 84782184) has the molecular formula C5H4BrF2NO and a molecular weight of 211.99 g/mol. Its IUPAC name is 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole
PubChem CID84782184
Molecular FormulaC5H4BrF2NO
Molecular Weight211.99 g/mol
Exact Mass210.94
IUPAC Name4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole
SMILESCC(F)(F)c1nc(Br)co1
InChIInChI=1S/C5H4BrF2NO/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3
InChIKeyLVNIKTRGJFIXDX-UHFFFAOYSA-N
XLogP2.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole?
The IUPAC name of 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole (CID 84782184) is 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole?
The canonical SMILES for 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole is CC(F)(F)c1nc(Br)co1.
What is the InChIKey of 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole?
The InChIKey is LVNIKTRGJFIXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NO/c1-5(7,8)4-9-3(6)2-10-4/h2H,1H3.
What are the key properties of 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole?
4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole has a molecular weight of 211.99 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1,1-difluoroethyl)-1,3-oxazole is sourced from PubChem (CID 84782184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).