3-fluoro-5-methylidene-1,3-oxazolidin-2-one

C4H4FNO2 — CID 123400980

IUPAC3-fluoro-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1CN(F)C(=O)O1
InChIInChI=1S/C4H4FNO2/c1-3-2-6(5)4(7)8-3/h1-2H2
InChIKeyAHERRAIWPQROOL-UHFFFAOYSA-N
MW117.08 g/mol
LogP0.84
Rot. Bonds

About 3-fluoro-5-methylidene-1,3-oxazolidin-2-one

3-fluoro-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 123400980) has the molecular formula C4H4FNO2 and a molecular weight of 117.08 g/mol. Its IUPAC name is 3-fluoro-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-fluoro-5-methylidene-1,3-oxazolidin-2-one
PubChem CID123400980
Molecular FormulaC4H4FNO2
Molecular Weight117.08 g/mol
Exact Mass117.02
IUPAC Name3-fluoro-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1CN(F)C(=O)O1
InChIInChI=1S/C4H4FNO2/c1-3-2-6(5)4(7)8-3/h1-2H2
InChIKeyAHERRAIWPQROOL-UHFFFAOYSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.08
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-5-methylidene-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-fluoro-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-fluoro-5-methylidene-1,3-oxazolidin-2-one (CID 123400980) is 3-fluoro-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-fluoro-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-fluoro-5-methylidene-1,3-oxazolidin-2-one is C=C1CN(F)C(=O)O1.
What is the InChIKey of 3-fluoro-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is AHERRAIWPQROOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO2/c1-3-2-6(5)4(7)8-3/h1-2H2.
What are the key properties of 3-fluoro-5-methylidene-1,3-oxazolidin-2-one?
3-fluoro-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 117.08 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 123400980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).