2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide

C9H13F3N2O2 — CID 19046079

IUPAC2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide
SMILESCC(C1CNC(=O)C1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-5(6-3-7(15)13-4-6)14(2)8(16)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyYTKDMNLIYLODOM-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.53
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide (PubChem CID 19046079) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide
PubChem CID19046079
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide
SMILESCC(C1CNC(=O)C1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c1-5(6-3-7(15)13-4-6)14(2)8(16)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyYTKDMNLIYLODOM-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide (CID 19046079) is 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide is CC(C1CNC(=O)C1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide?
The InChIKey is YTKDMNLIYLODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-5(6-3-7(15)13-4-6)14(2)8(16)9(10,11)12/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide has a molecular weight of 238.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[1-(5-oxopyrrolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 19046079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).