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

C12H18F3NO2 — CID 157234863

IUPAC3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)CC1(C)CC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3NO2/c1-10(2,3)6-11(4)5-8(17)16(9(11)18)7-12(13,14)15/h5-7H2,1-4H3
InChIKeyXLFQQGGDDBVCDU-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.75
Rot. Bonds2

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

3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (PubChem CID 157234863) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
PubChem CID157234863
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
SMILESCC(C)(C)CC1(C)CC(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3NO2/c1-10(2,3)6-11(4)5-8(17)16(9(11)18)7-12(13,14)15/h5-7H2,1-4H3
InChIKeyXLFQQGGDDBVCDU-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.75
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

2-Azaspiro(4.4)nonane-1,3-dione, 2-propyl-
CID 56331
3-[(3S)-3-methyl-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanenitrile
CID 96391331
2-Ethyl-8-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decane-1,3-dione
CID 86125128
N,N,2-triethyl-2-(trifluoromethyl)pentanamide
CID 87942753
N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide
CID 87943894
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
5-Tert-butyl-3-fluoro-1-methylpyrrolidin-2-one
CID 126704185
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130232703
3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
CID 130233326
1-[7-Methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130233343

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione (CID 157234863) is 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is CC(C)(C)CC1(C)CC(=O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
The InChIKey is XLFQQGGDDBVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-10(2,3)6-11(4)5-8(17)16(9(11)18)7-12(13,14)15/h5-7H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione?
3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione has a molecular weight of 265.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 157234863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).