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

C9H16F2N2O3 — CID 139925702

IUPAC4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(F)(F)N(CCOC)C1=O
InChIInChI=1S/C9H16F2N2O3/c1-15-5-3-12-7-9(10,11)13(8(12)14)4-6-16-2/h3-7H2,1-2H3
InChIKeySYZUASIGPQYYMZ-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.61
Rot. Bonds6

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

4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925702) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925702
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(F)(F)N(CCOC)C1=O
InChIInChI=1S/C9H16F2N2O3/c1-15-5-3-12-7-9(10,11)13(8(12)14)4-6-16-2/h3-7H2,1-2H3
InChIKeySYZUASIGPQYYMZ-UHFFFAOYSA-N
XLogP0.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.61
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 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925702) is 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1CC(F)(F)N(CCOC)C1=O.
What is the InChIKey of 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is SYZUASIGPQYYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c1-15-5-3-12-7-9(10,11)13(8(12)14)4-6-16-2/h3-7H2,1-2H3.
What are the key properties of 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 238.23 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).