3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one

C6H9F2NO2 — CID 67255666

IUPAC3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1(F)CF
InChIInChI=1S/C6H9F2NO2/c1-2-9-5(10)11-4-6(9,8)3-7/h2-4H2,1H3
InChIKeyFJUPHLBUFFOGMH-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.09
Rot. Bonds2

About 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one

3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67255666) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID67255666
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1(F)CF
InChIInChI=1S/C6H9F2NO2/c1-2-9-5(10)11-4-6(9,8)3-7/h2-4H2,1H3
InChIKeyFJUPHLBUFFOGMH-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one 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 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 67255666) is 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one is CCN1C(=O)OCC1(F)CF.
What is the InChIKey of 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is FJUPHLBUFFOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-2-9-5(10)11-4-6(9,8)3-7/h2-4H2,1H3.
What are the key properties of 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one?
3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 165.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67255666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).