3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide

C9H11F3N2O4 — CID 81341058

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NOCC(F)(F)F
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)5-18-13-6(15)3-4-14-7(16)1-2-8(14)17/h1-5H2,(H,13,15)
InChIKeyNINZECQVJJFQKS-UHFFFAOYSA-N
MW268.19 g/mol
LogP0.14
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81341058) has the molecular formula C9H11F3N2O4 and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81341058
Molecular FormulaC9H11F3N2O4
Molecular Weight268.19 g/mol
Exact Mass268.07
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NOCC(F)(F)F
InChIInChI=1S/C9H11F3N2O4/c10-9(11,12)5-18-13-6(15)3-4-14-7(16)1-2-8(14)17/h1-5H2,(H,13,15)
InChIKeyNINZECQVJJFQKS-UHFFFAOYSA-N
XLogP0.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide (CID 81341058) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide is O=C(CCN1C(=O)CCC1=O)NOCC(F)(F)F.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NINZECQVJJFQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4/c10-9(11,12)5-18-13-6(15)3-4-14-7(16)1-2-8(14)17/h1-5H2,(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 268.19 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81341058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).