4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one

C13H24F2N2O3 — CID 139925623

IUPAC4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one
SMILESCCC(CN1C(=O)N(CC(CC)OC)C(F)C1F)OC
InChIInChI=1S/C13H24F2N2O3/c1-5-9(19-3)7-16-11(14)12(15)17(13(16)18)8-10(6-2)20-4/h9-12H,5-8H2,1-4H3
InChIKeyTUZREJPIODRBPL-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.17
Rot. Bonds8

About 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one

4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one (PubChem CID 139925623) has the molecular formula C13H24F2N2O3 and a molecular weight of 294.34 g/mol. Its IUPAC name is 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one
PubChem CID139925623
Molecular FormulaC13H24F2N2O3
Molecular Weight294.34 g/mol
Exact Mass294.18
IUPAC Name4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one
SMILESCCC(CN1C(=O)N(CC(CC)OC)C(F)C1F)OC
InChIInChI=1S/C13H24F2N2O3/c1-5-9(19-3)7-16-11(14)12(15)17(13(16)18)8-10(6-2)20-4/h9-12H,5-8H2,1-4H3
InChIKeyTUZREJPIODRBPL-UHFFFAOYSA-N
XLogP2.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
The IUPAC name of 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one (CID 139925623) is 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
The canonical SMILES for 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one is CCC(CN1C(=O)N(CC(CC)OC)C(F)C1F)OC.
What is the InChIKey of 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
The InChIKey is TUZREJPIODRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O3/c1-5-9(19-3)7-16-11(14)12(15)17(13(16)18)8-10(6-2)20-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one?
4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one has a molecular weight of 294.34 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one is sourced from PubChem (CID 139925623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).