3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

C13H13F5N2O — CID 83268675

IUPAC3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCC1NC(c2cccc(C(F)(F)F)c2)N(CC(F)F)C1=O
InChIInChI=1S/C13H13F5N2O/c1-7-12(21)20(6-10(14)15)11(19-7)8-3-2-4-9(5-8)13(16,17)18/h2-5,7,10-11,19H,6H2,1H3
InChIKeyRCASCWUNUCOJIW-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.79
Rot. Bonds3

About 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one

3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (PubChem CID 83268675) has the molecular formula C13H13F5N2O and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
PubChem CID83268675
Molecular FormulaC13H13F5N2O
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
SMILESCC1NC(c2cccc(C(F)(F)F)c2)N(CC(F)F)C1=O
InChIInChI=1S/C13H13F5N2O/c1-7-12(21)20(6-10(14)15)11(19-7)8-3-2-4-9(5-8)13(16,17)18/h2-5,7,10-11,19H,6H2,1H3
InChIKeyRCASCWUNUCOJIW-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one (CID 83268675) is 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is CC1NC(c2cccc(C(F)(F)F)c2)N(CC(F)F)C1=O.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
The InChIKey is RCASCWUNUCOJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O/c1-7-12(21)20(6-10(14)15)11(19-7)8-3-2-4-9(5-8)13(16,17)18/h2-5,7,10-11,19H,6H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one?
3-(2,2-difluoroethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one has a molecular weight of 308.25 g/mol, XLogP of 2.79, 3 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-methyl-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 83268675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).