2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate

C11H10F3NO3 — CID 139567630

IUPAC2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate
SMILESC#CCN(CC=C)C(=O)C(=O)OCC(F)=C(F)F
InChIInChI=1S/C11H10F3NO3/c1-3-5-15(6-4-2)10(16)11(17)18-7-8(12)9(13)14/h1,4H,2,5-7H2
InChIKeyRQZURASQAGWJPJ-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.25
Rot. Bonds5

About 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate

2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate (PubChem CID 139567630) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate.

Molecular Properties

Compound Name2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate
PubChem CID139567630
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate
SMILESC#CCN(CC=C)C(=O)C(=O)OCC(F)=C(F)F
InChIInChI=1S/C11H10F3NO3/c1-3-5-15(6-4-2)10(16)11(17)18-7-8(12)9(13)14/h1,4H,2,5-7H2
InChIKeyRQZURASQAGWJPJ-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.25
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
The IUPAC name of 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate (CID 139567630) is 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate.
What is the SMILES notation for 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
The canonical SMILES for 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate is C#CCN(CC=C)C(=O)C(=O)OCC(F)=C(F)F.
What is the InChIKey of 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
The InChIKey is RQZURASQAGWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c1-3-5-15(6-4-2)10(16)11(17)18-7-8(12)9(13)14/h1,4H,2,5-7H2.
What are the key properties of 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate?
2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate has a molecular weight of 261.20 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoroprop-2-enyl 2-oxo-2-[prop-2-enyl(prop-2-ynyl)amino]acetate is sourced from PubChem (CID 139567630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).