3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione

C11H16F3NO2 — CID 157220012

IUPAC3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)C1(C)CC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C11H16F3NO2/c1-9(2,3)10(4)5-7(16)15(8(10)17)6-11(12,13)14/h5-6H2,1-4H3
InChIKeySRTKSGNGPUNCPX-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.36
Rot. Bonds1

About 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione

3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (PubChem CID 157220012) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
PubChem CID157220012
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)C1(C)CC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C11H16F3NO2/c1-9(2,3)10(4)5-7(16)15(8(10)17)6-11(12,13)14/h5-6H2,1-4H3
InChIKeySRTKSGNGPUNCPX-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1,3-dimethyl-2,5-pyrrolidinedione
CID 26313
2-[(3S)-3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 97575543
(3S)-1-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 99858244
5-Methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
CID 10679320
1,3,4-Trimethyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 20813313
1,3,4-Trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
CID 21049780
2-Ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 86125128
3-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 89759515
3,4-Ditert-butyl-1-(trifluoromethyl)pyrrolidine-2,5-dione
CID 118052439
3-(2,2-Dimethylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 118329651
2,2-difluoro-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444476
3,3,3-trifluoro-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444478

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (CID 157220012) is 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is CC(C)(C)C1(C)CC(=O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The InChIKey is SRTKSGNGPUNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-9(2,3)10(4)5-7(16)15(8(10)17)6-11(12,13)14/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione has a molecular weight of 251.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 157220012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).