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

C9H17FN2O3 — CID 139925660

IUPAC4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(F)N(CCOC)C1=O
InChIInChI=1S/C9H17FN2O3/c1-14-5-3-11-7-8(10)12(9(11)13)4-6-15-2/h8H,3-7H2,1-2H3
InChIKeyZTYNLFDBDUKHJN-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.31
Rot. Bonds6

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

4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925660) has the molecular formula C9H17FN2O3 and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925660
Molecular FormulaC9H17FN2O3
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1CC(F)N(CCOC)C1=O
InChIInChI=1S/C9H17FN2O3/c1-14-5-3-11-7-8(10)12(9(11)13)4-6-15-2/h8H,3-7H2,1-2H3
InChIKeyZTYNLFDBDUKHJN-UHFFFAOYSA-N
XLogP0.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.31
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-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925660) is 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1CC(F)N(CCOC)C1=O.
What is the InChIKey of 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is ZTYNLFDBDUKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3/c1-14-5-3-11-7-8(10)12(9(11)13)4-6-15-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 220.24 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).