3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one

C7H6F3NO3 — CID 75097194

IUPAC3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=CC(F)(F)F)N1CCOC1=O
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)2-1-5(12)11-3-4-14-6(11)13/h1-2H,3-4H2
InChIKeyIHPXBMQXKVJKIR-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.08
Rot. Bonds1

About 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one

3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 75097194) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID75097194
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=CC(F)(F)F)N1CCOC1=O
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)2-1-5(12)11-3-4-14-6(11)13/h1-2H,3-4H2
InChIKeyIHPXBMQXKVJKIR-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4,4,4-trifluorobut-2-enoyl)-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-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one (CID 75097194) is 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one is O=C(C=CC(F)(F)F)N1CCOC1=O.
What is the InChIKey of 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is IHPXBMQXKVJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c8-7(9,10)2-1-5(12)11-3-4-14-6(11)13/h1-2H,3-4H2.
What are the key properties of 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one?
3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 209.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobut-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 75097194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).