prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

C8H10F3NO3 — CID 139567585

IUPACprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESC=CCOC(=O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H10F3NO3/c1-3-4-15-7(14)6(13)12(2)5-8(9,10)11/h3H,1,4-5H2,2H3
InChIKeyNZRUYXGBZBCCNU-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.74
Rot. Bonds3

About prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate

prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (PubChem CID 139567585) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
PubChem CID139567585
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Nameprop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
SMILESC=CCOC(=O)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H10F3NO3/c1-3-4-15-7(14)6(13)12(2)5-8(9,10)11/h3H,1,4-5H2,2H3
InChIKeyNZRUYXGBZBCCNU-UHFFFAOYSA-N
XLogP0.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.74
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'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The IUPAC name of prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate (CID 139567585) is prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate.
What is the SMILES notation for prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The canonical SMILES for prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is C=CCOC(=O)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
The InChIKey is NZRUYXGBZBCCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-3-4-15-7(14)6(13)12(2)5-8(9,10)11/h3H,1,4-5H2,2H3.
What are the key properties of prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate?
prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate has a molecular weight of 225.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate is sourced from PubChem (CID 139567585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).