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

C13H20Cl2F4N2O3 — CID 139925610

IUPAC4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one
SMILESCCC(OC)C(F)N1C(=O)N(C(F)C(CC)OC)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C13H20Cl2F4N2O3/c1-5-7(23-3)9(16)20-11(22)21(10(17)8(6-2)24-4)13(15,19)12(20,14)18/h7-10H,5-6H2,1-4H3
InChIKeyPQUZYYHXDMVSPB-UHFFFAOYSA-N
MW399.21 g/mol
LogP3.89
Rot. Bonds8

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

4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one (PubChem CID 139925610) has the molecular formula C13H20Cl2F4N2O3 and a molecular weight of 399.21 g/mol. Its IUPAC name is 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one
PubChem CID139925610
Molecular FormulaC13H20Cl2F4N2O3
Molecular Weight399.21 g/mol
Exact Mass398.08
IUPAC Name4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one
SMILESCCC(OC)C(F)N1C(=O)N(C(F)C(CC)OC)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C13H20Cl2F4N2O3/c1-5-7(23-3)9(16)20-11(22)21(10(17)8(6-2)24-4)13(15,19)12(20,14)18/h7-10H,5-6H2,1-4H3
InChIKeyPQUZYYHXDMVSPB-UHFFFAOYSA-N
XLogP3.89
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one?
The IUPAC name of 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one (CID 139925610) is 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one?
The canonical SMILES for 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one is CCC(OC)C(F)N1C(=O)N(C(F)C(CC)OC)C(F)(Cl)C1(F)Cl.
What is the InChIKey of 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one?
The InChIKey is PQUZYYHXDMVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2F4N2O3/c1-5-7(23-3)9(16)20-11(22)21(10(17)8(6-2)24-4)13(15,19)12(20,14)18/h7-10H,5-6H2,1-4H3.
What are the key properties of 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one?
4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one has a molecular weight of 399.21 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-4,5-difluoro-1,3-bis(1-fluoro-2-methoxybutyl)imidazolidin-2-one is sourced from PubChem (CID 139925610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).