5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C12H21F3N2O — CID 83259681

IUPAC5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O/c1-4-9-11(18)17(10(16-9)8(2)3)7-5-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyXWFPGEMRRTTWHG-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.52
Rot. Bonds5

About 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83259681) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83259681
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCC1NC(C(C)C)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O/c1-4-9-11(18)17(10(16-9)8(2)3)7-5-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyXWFPGEMRRTTWHG-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3-(4-methoxybutyl)-2-propan-2-ylimidazolidin-4-one
CID 83245585
5-ethyl-3-(3-methylsulfonylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83247899
3-(2-cyclopropylethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258772
5-ethyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83242217
5-ethyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916125
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259869
2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
CID 83260560
5-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83255713
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
3-(3-methylbutyl)-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83238566
3-[(1,4-dimethylpiperidin-4-yl)methyl]-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 107165629

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83259681) is 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CCC1NC(C(C)C)N(CCCC(F)(F)F)C1=O.
What is the InChIKey of 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is XWFPGEMRRTTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-4-9-11(18)17(10(16-9)8(2)3)7-5-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 266.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83259681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).