2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate

C11H16F3NO3 — CID 59940783

IUPAC2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC(C)=C(C)COC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-7(2)8(3)6-18-9(16)5-15(4)10(17)11(12,13)14/h5-6H2,1-4H3
InChIKeyUOHQGYQCBRCKFF-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.91
Rot. Bonds4

About 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate

2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 59940783) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Name2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID59940783
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCC(C)=C(C)COC(=O)CN(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-7(2)8(3)6-18-9(16)5-15(4)10(17)11(12,13)14/h5-6H2,1-4H3
InChIKeyUOHQGYQCBRCKFF-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)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

Related Compounds

3,4-dimethylpent-3-en-2-yl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 20712415
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
hexan-2-yl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 539674
ethyl (E)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]but-2-enoate
CID 143930726
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
CID 91721400
tetradecyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
CID 91737669
nonyl 2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]acetate
CID 91737665
2-[[2-(carboxymethoxy)-2-oxoethyl]-methylamino]acetic acid
CID 10307945
methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
CID 115426447
3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863396
N,2,3-trimethyl-N-prop-1-en-2-ylbut-2-en-1-amine
CID 155459620

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate (CID 59940783) is 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is CC(C)=C(C)COC(=O)CN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is UOHQGYQCBRCKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7(2)8(3)6-18-9(16)5-15(4)10(17)11(12,13)14/h5-6H2,1-4H3.
What are the key properties of 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate?
2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 267.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-enyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 59940783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).