3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one

C7H12F2N2O — CID 127011544

IUPAC3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1C(C)C(F)F
InChIInChI=1S/C7H12F2N2O/c1-4(7(8)9)11-5(2)10-3-6(11)12/h4-5,7,10H,3H2,1-2H3
InChIKeyDKZPELYVDSAATM-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.42
Rot. Bonds2

About 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one

3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one (PubChem CID 127011544) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one
PubChem CID127011544
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one
SMILESCC1NCC(=O)N1C(C)C(F)F
InChIInChI=1S/C7H12F2N2O/c1-4(7(8)9)11-5(2)10-3-6(11)12/h4-5,7,10H,3H2,1-2H3
InChIKeyDKZPELYVDSAATM-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,3-dimethylbutan-2-yl)-2-methylimidazolidin-4-one
CID 104830759
3-[1-(dimethylamino)propan-2-yl]-2-methylimidazolidin-4-one
CID 83260354
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
2-methyl-3-(1-morpholin-4-ylpropan-2-yl)imidazolidin-4-one
CID 83249615
3-(2,2-dicyclopropylethyl)-2-methylimidazolidin-4-one
CID 83259173
3-(3-ethylpentan-2-yl)-2-propylimidazolidin-4-one
CID 83258011
2-(4-fluorophenyl)-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83246051
3-cycloheptyl-2-methylimidazolidin-4-one
CID 83244225
7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64882407
3-(2,2-dimethylpropyl)-2-methylimidazolidin-4-one
CID 83256549
2-(2,4-difluorophenyl)-3-(3-methylbutan-2-yl)imidazolidin-4-one
CID 83250767
3-(dicyclopropylmethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83253006

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one?
The IUPAC name of 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one (CID 127011544) is 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one?
The canonical SMILES for 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one is CC1NCC(=O)N1C(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one?
The InChIKey is DKZPELYVDSAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-4(7(8)9)11-5(2)10-3-6(11)12/h4-5,7,10H,3H2,1-2H3.
What are the key properties of 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one?
3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one has a molecular weight of 178.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-yl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 127011544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).