3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole

C5H4BrF2NO — CID 52951007

IUPAC3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole
SMILESCC(F)(F)c1cc(Br)no1
InChIInChI=1S/C5H4BrF2NO/c1-5(7,8)3-2-4(6)9-10-3/h2H,1H3
InChIKeyKAABHRIZELPHGH-UHFFFAOYSA-N
MW211.99 g/mol
LogP2.55
Rot. Bonds1

About 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole

3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole (PubChem CID 52951007) has the molecular formula C5H4BrF2NO and a molecular weight of 211.99 g/mol. Its IUPAC name is 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole
PubChem CID52951007
Molecular FormulaC5H4BrF2NO
Molecular Weight211.99 g/mol
Exact Mass210.94
IUPAC Name3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole
SMILESCC(F)(F)c1cc(Br)no1
InChIInChI=1S/C5H4BrF2NO/c1-5(7,8)3-2-4(6)9-10-3/h2H,1H3
InChIKeyKAABHRIZELPHGH-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 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole (CID 52951007) is 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole is CC(F)(F)c1cc(Br)no1.
What is the InChIKey of 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole?
The InChIKey is KAABHRIZELPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrF2NO/c1-5(7,8)3-2-4(6)9-10-3/h2H,1H3.
What are the key properties of 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole?
3-bromo-5-(1,1-difluoroethyl)-1,2-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 3-bromo-5-(1,1-difluoroethyl)-1,2-oxazole is sourced from PubChem (CID 52951007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).