2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

C11H17F3N2O2 — CID 166123893

IUPAC2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESCC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C11H17F3N2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)
InChIKeyAWHBFFGGGZKKKW-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.17
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (PubChem CID 166123893) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
PubChem CID166123893
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
SMILESCC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C
InChIInChI=1S/C11H17F3N2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18)
InChIKeyAWHBFFGGGZKKKW-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
N-[(2S)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 177859952
2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 72133199
N-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 130237025
ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166156699
Acetaldehyde;2-methylpropane;2-(2,2,2-trifluoroethylamino)-1-(3,3,4-trimethylpyrrolidin-1-yl)ethanone
CID 167481764
cyclopropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 167481912
ethane;methanamine;2-methylpropane;N-propan-2-ylformamide;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521392
butane;ethane;N-methylformamide;2-methylpropane;2,2,2-trifluoro-N-[2-oxo-2-[(4R)-3,3,4-trimethylpyrrolidin-1-yl]ethyl]acetamide
CID 167521827
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
CID 167523262
N-[3,3-dimethyl-1-oxo-1-(3,3,4-trimethylpyrrolidin-1-yl)butan-2-yl]-2,2,2-trifluoroacetamide
CID 168941880
N-[(2S)-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 169914772

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide (CID 166123893) is 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is CC1CN(C(=O)CNC(=O)C(F)(F)F)CC1(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is AWHBFFGGGZKKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-7-5-16(6-10(7,2)3)8(17)4-15-9(18)11(12,13)14/h7H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 266.26 g/mol, XLogP of 1.17, 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-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 166123893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).