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

C9H14Cl2F2N2O3 — CID 139925644

IUPAC4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C9H14Cl2F2N2O3/c1-17-5-3-14-7(16)15(4-6-18-2)9(11,13)8(14,10)12/h3-6H2,1-2H3
InChIKeySMVXLSILCDAZOC-UHFFFAOYSA-N
MW307.12 g/mol
LogP1.74
Rot. Bonds6

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

4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925644) has the molecular formula C9H14Cl2F2N2O3 and a molecular weight of 307.12 g/mol. Its IUPAC name is 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925644
Molecular FormulaC9H14Cl2F2N2O3
Molecular Weight307.12 g/mol
Exact Mass306.03
IUPAC Name4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)(Cl)C1(F)Cl
InChIInChI=1S/C9H14Cl2F2N2O3/c1-17-5-3-14-7(16)15(4-6-18-2)9(11,13)8(14,10)12/h3-6H2,1-2H3
InChIKeySMVXLSILCDAZOC-UHFFFAOYSA-N
XLogP1.74
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 51.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925644) is 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1C(=O)N(CCOC)C(F)(Cl)C1(F)Cl.
What is the InChIKey of 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is SMVXLSILCDAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2F2N2O3/c1-17-5-3-14-7(16)15(4-6-18-2)9(11,13)8(14,10)12/h3-6H2,1-2H3.
What are the key properties of 4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4,5-dichloro-4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 307.12 g/mol, XLogP of 1.74, 6 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(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).