[2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate

C9H12F3NO3 — CID 88706113

IUPAC[2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate
SMILESC=CCN(CC(F)(F)F)C(=O)COC(C)=O
InChIInChI=1S/C9H12F3NO3/c1-3-4-13(6-9(10,11)12)8(15)5-16-7(2)14/h3H,1,4-6H2,2H3
InChIKeyJVRSGJCTFMPLFE-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.13
Rot. Bonds5

About [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate

[2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate (PubChem CID 88706113) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate
PubChem CID88706113
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name[2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate
SMILESC=CCN(CC(F)(F)F)C(=O)COC(C)=O
InChIInChI=1S/C9H12F3NO3/c1-3-4-13(6-9(10,11)12)8(15)5-16-7(2)14/h3H,1,4-6H2,2H3
InChIKeyJVRSGJCTFMPLFE-UHFFFAOYSA-N
XLogP1.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
The IUPAC name of [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate (CID 88706113) is [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate is C=CCN(CC(F)(F)F)C(=O)COC(C)=O.
What is the InChIKey of [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
The InChIKey is JVRSGJCTFMPLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c1-3-4-13(6-9(10,11)12)8(15)5-16-7(2)14/h3H,1,4-6H2,2H3.
What are the key properties of [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate?
[2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate has a molecular weight of 239.19 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethyl] acetate is sourced from PubChem (CID 88706113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).