4,5-difluoro-1,3-dimethylimidazolidin-2-one

C5H8F2N2O — CID 150532585

IUPAC4,5-difluoro-1,3-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C)C(F)C1F
InChIInChI=1S/C5H8F2N2O/c1-8-3(6)4(7)9(2)5(8)10/h3-4H,1-2H3
InChIKeyIEDWIIRIBOAJAE-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.57
Rot. Bonds

About 4,5-difluoro-1,3-dimethylimidazolidin-2-one

4,5-difluoro-1,3-dimethylimidazolidin-2-one (PubChem CID 150532585) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 4,5-difluoro-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-difluoro-1,3-dimethylimidazolidin-2-one
PubChem CID150532585
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name4,5-difluoro-1,3-dimethylimidazolidin-2-one
SMILESCN1C(=O)N(C)C(F)C1F
InChIInChI=1S/C5H8F2N2O/c1-8-3(6)4(7)9(2)5(8)10/h3-4H,1-2H3
InChIKeyIEDWIIRIBOAJAE-UHFFFAOYSA-N
XLogP0.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-2-imidazolidinone
CID 6661
2-Imidazolidinone, 1,3-diethyl-
CID 10920619
Bis(trifluoromethyl)imidazolidin-2-one
CID 168355027
1-Ethyl-3-methylimidazolidin-2-one
CID 11434961
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
1-Fluoro-3-methylimidazolidin-2-one
CID 117713818
4,4,5,5-Tetrafluoro-1,3-dimethylimidazolidin-2-one
CID 118288673
4-Fluoro-1,3-dimethylimidazolidin-2-one
CID 141412360
1-Methyl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 156148700

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4,5-difluoro-1,3-dimethylimidazolidin-2-one (CID 150532585) is 4,5-difluoro-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4,5-difluoro-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4,5-difluoro-1,3-dimethylimidazolidin-2-one is CN1C(=O)N(C)C(F)C1F.
What is the InChIKey of 4,5-difluoro-1,3-dimethylimidazolidin-2-one?
The InChIKey is IEDWIIRIBOAJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c1-8-3(6)4(7)9(2)5(8)10/h3-4H,1-2H3.
What are the key properties of 4,5-difluoro-1,3-dimethylimidazolidin-2-one?
4,5-difluoro-1,3-dimethylimidazolidin-2-one has a molecular weight of 150.13 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 150532585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).