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

C12H22F2N2O3 — CID 139925730

IUPAC4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one
SMILESCCC1(C)CN(C(F)COC)C(=O)N1C(F)COC
InChIInChI=1S/C12H22F2N2O3/c1-5-12(2)8-15(9(13)6-18-3)11(17)16(12)10(14)7-19-4/h9-10H,5-8H2,1-4H3
InChIKeyAROIHJSLADKMPX-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.78
Rot. Bonds7

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

4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one (PubChem CID 139925730) has the molecular formula C12H22F2N2O3 and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one
PubChem CID139925730
Molecular FormulaC12H22F2N2O3
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Name4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one
SMILESCCC1(C)CN(C(F)COC)C(=O)N1C(F)COC
InChIInChI=1S/C12H22F2N2O3/c1-5-12(2)8-15(9(13)6-18-3)11(17)16(12)10(14)7-19-4/h9-10H,5-8H2,1-4H3
InChIKeyAROIHJSLADKMPX-UHFFFAOYSA-N
XLogP1.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.78
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-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one?
The IUPAC name of 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one (CID 139925730) is 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one is CCC1(C)CN(C(F)COC)C(=O)N1C(F)COC.
What is the InChIKey of 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one?
The InChIKey is AROIHJSLADKMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O3/c1-5-12(2)8-15(9(13)6-18-3)11(17)16(12)10(14)7-19-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one?
4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one has a molecular weight of 280.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-bis(1-fluoro-2-methoxyethyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 139925730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).