2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

C7H9F3N2O2 — CID 20645447

IUPAC2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H9F3N2O2/c1-12-3-2-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)
InChIKeySCSHRKXCUFJRRY-UHFFFAOYSA-N
MW210.15 g/mol
LogP-0.10
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide

2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (PubChem CID 20645447) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
PubChem CID20645447
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
SMILESCN1CCC(NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C7H9F3N2O2/c1-12-3-2-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)
InChIKeySCSHRKXCUFJRRY-UHFFFAOYSA-N
XLogP-0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-0.10
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-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide (CID 20645447) is 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is CN1CCC(NC(=O)C(F)(F)F)C1=O.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
The InChIKey is SCSHRKXCUFJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-12-3-2-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14).
What are the key properties of 2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide?
2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide has a molecular weight of 210.15 g/mol, XLogP of -0.10, 1 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-(1-methyl-2-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 20645447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).