2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide

C8H11F3N2O3 — CID 81343154

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(CN1CCCC1=O)NOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5-16-12-6(14)4-13-3-1-2-7(13)15/h1-5H2,(H,12,14)
InChIKeyDEXKNLCSSQISLH-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.22
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81343154) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81343154
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(CN1CCCC1=O)NOCC(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5-16-12-6(14)4-13-3-1-2-7(13)15/h1-5H2,(H,12,14)
InChIKeyDEXKNLCSSQISLH-UHFFFAOYSA-N
XLogP0.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726264
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-acetyl-2-(2-oxopyrrolidin-1-yl)acetamide;ethane;molecular hydrogen
CID 144970843
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63889573
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103769873
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-oxoazocan-1-yl)acetamide
CID 120605649
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethoxy)butanamide
CID 81339845
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81343154) is 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide is O=C(CN1CCCC1=O)NOCC(F)(F)F.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DEXKNLCSSQISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)5-16-12-6(14)4-13-3-1-2-7(13)15/h1-5H2,(H,12,14).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 240.18 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81343154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).