1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione

C9H13F3N2O3 — CID 63828728

IUPAC1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCOCC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O3/c1-14-7(15)4-6(8(14)16)13-2-3-17-5-9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyYDTUWPRIKCOBPP-UHFFFAOYSA-N
MW254.21 g/mol
LogP-0.09
Rot. Bonds5

About 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione

1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (PubChem CID 63828728) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
PubChem CID63828728
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCOCC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O3/c1-14-7(15)4-6(8(14)16)13-2-3-17-5-9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyYDTUWPRIKCOBPP-UHFFFAOYSA-N
XLogP-0.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (CID 63828728) is 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is CN1C(=O)CC(NCCOCC(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is YDTUWPRIKCOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-14-7(15)4-6(8(14)16)13-2-3-17-5-9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 254.21 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 63828728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).