1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one

C12H21F3N2O4 — CID 139925756

IUPAC1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one
SMILESCOCCN1CCN(CCOCCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O4/c1-19-6-4-16-2-3-17(11(16)18)5-7-20-8-9-21-10-12(13,14)15/h2-10H2,1H3
InChIKeyGWHBWLJATMVPFD-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.97
Rot. Bonds10

About 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one

1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one (PubChem CID 139925756) has the molecular formula C12H21F3N2O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one
PubChem CID139925756
Molecular FormulaC12H21F3N2O4
Molecular Weight314.30 g/mol
Exact Mass314.15
IUPAC Name1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one
SMILESCOCCN1CCN(CCOCCOCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O4/c1-19-6-4-16-2-3-17(11(16)18)5-7-20-8-9-21-10-12(13,14)15/h2-10H2,1H3
InChIKeyGWHBWLJATMVPFD-UHFFFAOYSA-N
XLogP0.97
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one (CID 139925756) is 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one is COCCN1CCN(CCOCCOCC(F)(F)F)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one?
The InChIKey is GWHBWLJATMVPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O4/c1-19-6-4-16-2-3-17(11(16)18)5-7-20-8-9-21-10-12(13,14)15/h2-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one?
1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one has a molecular weight of 314.30 g/mol, XLogP of 0.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 139925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).