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

C9H15ClF2N2O3 — CID 139925619

IUPAC5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)(F)C1Cl
InChIInChI=1S/C9H15ClF2N2O3/c1-16-5-3-13-7(10)9(11,12)14(8(13)15)4-6-17-2/h7H,3-6H2,1-2H3
InChIKeyVBUNFZBTOBOSPF-UHFFFAOYSA-N
MW272.68 g/mol
LogP1.17
Rot. Bonds6

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

5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925619) has the molecular formula C9H15ClF2N2O3 and a molecular weight of 272.68 g/mol. Its IUPAC name is 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925619
Molecular FormulaC9H15ClF2N2O3
Molecular Weight272.68 g/mol
Exact Mass272.07
IUPAC Name5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)(F)C1Cl
InChIInChI=1S/C9H15ClF2N2O3/c1-16-5-3-13-7(10)9(11,12)14(8(13)15)4-6-17-2/h7H,3-6H2,1-2H3
InChIKeyVBUNFZBTOBOSPF-UHFFFAOYSA-N
XLogP1.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 51.17
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 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925619) is 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1C(=O)N(CCOC)C(F)(F)C1Cl.
What is the InChIKey of 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is VBUNFZBTOBOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF2N2O3/c1-16-5-3-13-7(10)9(11,12)14(8(13)15)4-6-17-2/h7H,3-6H2,1-2H3.
What are the key properties of 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 272.68 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).