2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol

C5H5F2NO2 — CID 165494460

IUPAC2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol
SMILESOCC(F)(F)c1ncco1
InChIInChI=1S/C5H5F2NO2/c6-5(7,3-9)4-8-1-2-10-4/h1-2,9H,3H2
InChIKeyCXUOGBOFZVFZOY-UHFFFAOYSA-N
MW149.10 g/mol
LogP0.76
Rot. Bonds2

About 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol

2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol (PubChem CID 165494460) has the molecular formula C5H5F2NO2 and a molecular weight of 149.10 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol
PubChem CID165494460
Molecular FormulaC5H5F2NO2
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol
SMILESOCC(F)(F)c1ncco1
InChIInChI=1S/C5H5F2NO2/c6-5(7,3-9)4-8-1-2-10-4/h1-2,9H,3H2
InChIKeyCXUOGBOFZVFZOY-UHFFFAOYSA-N
XLogP0.76
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol?
The IUPAC name of 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol (CID 165494460) is 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol?
The canonical SMILES for 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol is OCC(F)(F)c1ncco1.
What is the InChIKey of 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol?
The InChIKey is CXUOGBOFZVFZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2/c6-5(7,3-9)4-8-1-2-10-4/h1-2,9H,3H2.
What are the key properties of 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol?
2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol has a molecular weight of 149.10 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,3-oxazol-2-yl)ethanol is sourced from PubChem (CID 165494460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).