5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one

C6H10F2N2O — CID 67253649

IUPAC5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1CC(F)F
InChIInChI=1S/C6H10F2N2O/c1-10-4(2-5(7)8)3-9-6(10)11/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyGMWBJNZFGHNCJE-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.67
Rot. Bonds2

About 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one

5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one (PubChem CID 67253649) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one
PubChem CID67253649
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1CC(F)F
InChIInChI=1S/C6H10F2N2O/c1-10-4(2-5(7)8)3-9-6(10)11/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyGMWBJNZFGHNCJE-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one (CID 67253649) is 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one is CN1C(=O)NCC1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
The InChIKey is GMWBJNZFGHNCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-10-4(2-5(7)8)3-9-6(10)11/h4-5H,2-3H2,1H3,(H,9,11).
What are the key properties of 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 67253649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).