1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one

C8H12F2N2O — CID 116625177

IUPAC1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(F)F)c1=O
InChIInChI=1S/C8H12F2N2O/c1-6(2)12-4-3-11(8(12)13)5-7(9)10/h3-4,6-7H,5H2,1-2H3
InChIKeyIMCLDISIMRLVGF-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.50
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one

1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 116625177) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one
PubChem CID116625177
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC(F)F)c1=O
InChIInChI=1S/C8H12F2N2O/c1-6(2)12-4-3-11(8(12)13)5-7(9)10/h3-4,6-7H,5H2,1-2H3
InChIKeyIMCLDISIMRLVGF-UHFFFAOYSA-N
XLogP1.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one (CID 116625177) is 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC(F)F)c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is IMCLDISIMRLVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-6(2)12-4-3-11(8(12)13)5-7(9)10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one?
1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 190.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).