3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one

C8H8F3NO3 — CID 71157345

IUPAC3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one
SMILESC/C(=C\C(=O)N1CCOC1=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO3/c1-5(8(9,10)11)4-6(13)12-2-3-15-7(12)14/h4H,2-3H2,1H3/b5-4+
InChIKeyVXBIJWBCNMXWKT-SNAWJCMRSA-N
MW223.15 g/mol
LogP1.47
Rot. Bonds1

About 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 71157345) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID71157345
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Name3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one
SMILESC/C(=C\C(=O)N1CCOC1=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO3/c1-5(8(9,10)11)4-6(13)12-2-3-15-7(12)14/h4H,2-3H2,1H3/b5-4+
InChIKeyVXBIJWBCNMXWKT-SNAWJCMRSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-4,4,4-trifluoro-3-methylbut-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-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one (CID 71157345) is 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one is C/C(=C\C(=O)N1CCOC1=O)C(F)(F)F.
What is the InChIKey of 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is VXBIJWBCNMXWKT-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-5(8(9,10)11)4-6(13)12-2-3-15-7(12)14/h4H,2-3H2,1H3/b5-4+.
What are the key properties of 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 223.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4,4,4-trifluoro-3-methylbut-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71157345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).