2-(1,1-difluoroethyl)-1,3-oxazol-4-ol

C5H5F2NO2 — CID 84763086

IUPAC2-(1,1-difluoroethyl)-1,3-oxazol-4-ol
SMILESCC(F)(F)c1nc(O)co1
InChIInChI=1S/C5H5F2NO2/c1-5(6,7)4-8-3(9)2-10-4/h2,9H,1H3
InChIKeyKCKCCRIEJYRYAV-UHFFFAOYSA-N
MW149.10 g/mol
LogP1.49
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol

2-(1,1-difluoroethyl)-1,3-oxazol-4-ol (PubChem CID 84763086) has the molecular formula C5H5F2NO2 and a molecular weight of 149.10 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1,3-oxazol-4-ol
PubChem CID84763086
Molecular FormulaC5H5F2NO2
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name2-(1,1-difluoroethyl)-1,3-oxazol-4-ol
SMILESCC(F)(F)c1nc(O)co1
InChIInChI=1S/C5H5F2NO2/c1-5(6,7)4-8-3(9)2-10-4/h2,9H,1H3
InChIKeyKCKCCRIEJYRYAV-UHFFFAOYSA-N
XLogP1.49
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol?
The IUPAC name of 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol (CID 84763086) is 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol?
The canonical SMILES for 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol is CC(F)(F)c1nc(O)co1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol?
The InChIKey is KCKCCRIEJYRYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2/c1-5(6,7)4-8-3(9)2-10-4/h2,9H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol?
2-(1,1-difluoroethyl)-1,3-oxazol-4-ol has a molecular weight of 149.10 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1,3-oxazol-4-ol is sourced from PubChem (CID 84763086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).