4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one

C7H12F2N2O — CID 67253577

IUPAC4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(CC(F)F)N(C)C1=O
InChIInChI=1S/C7H12F2N2O/c1-10-4-5(3-6(8)9)11(2)7(10)12/h5-6H,3-4H2,1-2H3
InChIKeyKDCHGZHQHNUDBZ-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.01
Rot. Bonds2

About 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one

4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one (PubChem CID 67253577) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one
PubChem CID67253577
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(CC(F)F)N(C)C1=O
InChIInChI=1S/C7H12F2N2O/c1-10-4-5(3-6(8)9)11(2)7(10)12/h5-6H,3-4H2,1-2H3
InChIKeyKDCHGZHQHNUDBZ-UHFFFAOYSA-N
XLogP1.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one (CID 67253577) is 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one is CN1CC(CC(F)F)N(C)C1=O.
What is the InChIKey of 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one?
The InChIKey is KDCHGZHQHNUDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-10-4-5(3-6(8)9)11(2)7(10)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one?
4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one has a molecular weight of 178.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 67253577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).