[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate

C12H11F4NO3 — CID 139567578

IUPAC[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate
SMILESC#CCN(CC=C)C(=O)C(=O)OC/C=C(\F)C(F)(F)F
InChIInChI=1S/C12H11F4NO3/c1-3-6-17(7-4-2)10(18)11(19)20-8-5-9(13)12(14,15)16/h1,4-5H,2,6-8H2/b9-5-
InChIKeyJBYDGHVTAKAKNU-UITAMQMPSA-N
MW293.22 g/mol
LogP1.59
Rot. Bonds5

About [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate

[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate (PubChem CID 139567578) has the molecular formula C12H11F4NO3 and a molecular weight of 293.22 g/mol. Its IUPAC name is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate.

Molecular Properties

Compound Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate
PubChem CID139567578
Molecular FormulaC12H11F4NO3
Molecular Weight293.22 g/mol
Exact Mass293.07
IUPAC Name[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate
SMILESC#CCN(CC=C)C(=O)C(=O)OC/C=C(\F)C(F)(F)F
InChIInChI=1S/C12H11F4NO3/c1-3-6-17(7-4-2)10(18)11(19)20-8-5-9(13)12(14,15)16/h1,4-5H,2,6-8H2/b9-5-
InChIKeyJBYDGHVTAKAKNU-UITAMQMPSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate 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 [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
The IUPAC name of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate (CID 139567578) is [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate.
What is the SMILES notation for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
The canonical SMILES for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate is C#CCN(CC=C)C(=O)C(=O)OC/C=C(\F)C(F)(F)F.
What is the InChIKey of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
The InChIKey is JBYDGHVTAKAKNU-UITAMQMPSA-N. The full InChI is InChI=1S/C12H11F4NO3/c1-3-6-17(7-4-2)10(18)11(19)20-8-5-9(13)12(14,15)16/h1,4-5H,2,6-8H2/b9-5-.
What are the key properties of [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
[(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate has a molecular weight of 293.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,4,4,4-tetrafluorobut-2-enyl] 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate is sourced from PubChem (CID 139567578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).