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

C5H5F2NO — CID 143065279

IUPAC5-(1,1-difluoroethyl)-1,2-oxazole
SMILESCC(F)(F)c1ccno1
InChIInChI=1S/C5H5F2NO/c1-5(6,7)4-2-3-8-9-4/h2-3H,1H3
InChIKeyUERMIRPYPFXDAH-UHFFFAOYSA-N
MW133.10 g/mol
LogP1.79
Rot. Bonds1

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

5-(1,1-difluoroethyl)-1,2-oxazole (PubChem CID 143065279) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1,2-oxazole
PubChem CID143065279
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name5-(1,1-difluoroethyl)-1,2-oxazole
SMILESCC(F)(F)c1ccno1
InChIInChI=1S/C5H5F2NO/c1-5(6,7)4-2-3-8-9-4/h2-3H,1H3
InChIKeyUERMIRPYPFXDAH-UHFFFAOYSA-N
XLogP1.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1,2-oxazole?
The IUPAC name of 5-(1,1-difluoroethyl)-1,2-oxazole (CID 143065279) is 5-(1,1-difluoroethyl)-1,2-oxazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1,2-oxazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-1,2-oxazole is CC(F)(F)c1ccno1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1,2-oxazole?
The InChIKey is UERMIRPYPFXDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c1-5(6,7)4-2-3-8-9-4/h2-3H,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-1,2-oxazole?
5-(1,1-difluoroethyl)-1,2-oxazole has a molecular weight of 133.10 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1,2-oxazole is sourced from PubChem (CID 143065279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).