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

C7H9FN2O — CID 89446167

IUPAC4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(C#CF)N(C)C1=O
InChIInChI=1S/C7H9FN2O/c1-9-5-6(3-4-8)10(2)7(9)11/h6H,5H2,1-2H3
InChIKeyKEUZBUXPDVEFJF-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.28
Rot. Bonds

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

4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one (PubChem CID 89446167) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one
PubChem CID89446167
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one
SMILESCN1CC(C#CF)N(C)C1=O
InChIInChI=1S/C7H9FN2O/c1-9-5-6(3-4-8)10(2)7(9)11/h6H,5H2,1-2H3
InChIKeyKEUZBUXPDVEFJF-UHFFFAOYSA-N
XLogP0.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Imidazolidinone, 1,3,4-trimethyl-
CID 10313143
4-(2,2-Difluoroethyl)-1,3-dimethylimidazolidin-2-one
CID 67253577
4-(2-Fluoroethyl)-1,3-dimethylimidazolidin-2-one
CID 67255469
4-(Fluoromethyl)-1,3-dimethylimidazolidin-2-one
CID 67255737
4-(Difluoromethyl)-1,3-dimethylimidazolidin-2-one
CID 67256131
4-Ethynyl-4-fluoro-1,3-dimethylimidazolidin-2-one
CID 89446197
4-Ethynyl-5-fluoro-1,3-dimethylimidazolidin-2-one
CID 89446390
3-Fluoro-1,4-dimethylimidazolidin-2-one
CID 143942514
1,3-Dimethyl-4-(trifluoromethyl)imidazolidin-2-one
CID 169562676
1-(2-Fluoropropyl)-3-propan-2-ylimidazolidin-2-one
CID 143238844
1,3,4,5-Tetramethylimidazolidin-2-one
CID 10290848
rel-(4R,5S)-1,3,4,5-Tetramethyl-2-imidazolidinone
CID 10773090

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one (CID 89446167) is 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one is CN1CC(C#CF)N(C)C1=O.
What is the InChIKey of 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one?
The InChIKey is KEUZBUXPDVEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-9-5-6(3-4-8)10(2)7(9)11/h6H,5H2,1-2H3.
What are the key properties of 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one?
4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one has a molecular weight of 156.16 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethynyl)-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 89446167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).