4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one

C6H10F2N2O — CID 67255831

IUPAC4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one
SMILESCN1CC(CC(F)F)NC1=O
InChIInChI=1S/C6H10F2N2O/c1-10-3-4(2-5(7)8)9-6(10)11/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyXYNZPYZLCOPNGM-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.67
Rot. Bonds2

About 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one

4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one (PubChem CID 67255831) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one
PubChem CID67255831
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one
SMILESCN1CC(CC(F)F)NC1=O
InChIInChI=1S/C6H10F2N2O/c1-10-3-4(2-5(7)8)9-6(10)11/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyXYNZPYZLCOPNGM-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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Related Compounds

1,2-Propylene urea
CID 97832
1-(Propan-2-yl)imidazolidin-2-one
CID 21719015
Urea, (1-ethyl-3-pyrrolidinyl)-
CID 209543
1,5-Dimethylimidazolidin-2-one
CID 11263488
3-Methyl-1-(pyrrolidin-3-yl)urea
CID 22504281
(4S)-4-methylimidazolidin-2-one
CID 57202305
1,4-Dimethylimidazolidin-2-one
CID 15646794
1-Butylimidazolidin-2-one
CID 21749799
3-Ethyl-1-(pyrrolidin-3-yl)urea
CID 43604171
(3S)-3-amino-N-methylpyrrolidine-1-carboxamide hydrochloride
CID 165468202
4,5-Bis(trifluoromethyl)-imidazolidin-2-one
CID 129872631
4,5-Dimethyl-2-imidazolidinone
CID 9942133

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one (CID 67255831) is 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one is CN1CC(CC(F)F)NC1=O.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
The InChIKey is XYNZPYZLCOPNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-10-3-4(2-5(7)8)9-6(10)11/h4-5H,2-3H2,1H3,(H,9,11).
What are the key properties of 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one?
4-(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 4-(2,2-difluoroethyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 67255831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).