3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one

C11H20F2N2O — CID 83271211

IUPAC3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CC(F)F
InChIInChI=1S/C11H20F2N2O/c1-4-5-9-14-10(7(2)3)11(16)15(9)6-8(12)13/h7-10,14H,4-6H2,1-3H3
InChIKeyDWPGASNGWXRNLI-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.83
Rot. Bonds5

About 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one

3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 83271211) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID83271211
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CC(F)F
InChIInChI=1S/C11H20F2N2O/c1-4-5-9-14-10(7(2)3)11(16)15(9)6-8(12)13/h7-10,14H,4-6H2,1-3H3
InChIKeyDWPGASNGWXRNLI-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
3-[(4-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83254528
3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 107819269
2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one
CID 83271372
3-[(2-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83256565
3-(2-methylpropyl)-2,5-dipropylimidazolidin-4-one
CID 83242304
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83255387
5-propan-2-yl-2-propyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83270816
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
3-[(3-methoxyoxolan-3-yl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 104767861

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one (CID 83271211) is 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is DWPGASNGWXRNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-4-5-9-14-10(7(2)3)11(16)15(9)6-8(12)13/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one has a molecular weight of 234.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83271211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).