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

C12H22F2N2O3 — CID 139925685

IUPAC1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one
SMILESCOCC(F)N1CC(C(C)C)N(C(F)COC)C1=O
InChIInChI=1S/C12H22F2N2O3/c1-8(2)9-5-15(10(13)6-18-3)12(17)16(9)11(14)7-19-4/h8-11H,5-7H2,1-4H3
InChIKeyPHKYMTZOVMGTIZ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.63
Rot. Bonds7

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

1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 139925685) has the molecular formula C12H22F2N2O3 and a molecular weight of 280.31 g/mol. Its IUPAC name is 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one
PubChem CID139925685
Molecular FormulaC12H22F2N2O3
Molecular Weight280.31 g/mol
Exact Mass280.16
IUPAC Name1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one
SMILESCOCC(F)N1CC(C(C)C)N(C(F)COC)C1=O
InChIInChI=1S/C12H22F2N2O3/c1-8(2)9-5-15(10(13)6-18-3)12(17)16(9)11(14)7-19-4/h8-11H,5-7H2,1-4H3
InChIKeyPHKYMTZOVMGTIZ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one (CID 139925685) is 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one is COCC(F)N1CC(C(C)C)N(C(F)COC)C1=O.
What is the InChIKey of 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is PHKYMTZOVMGTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O3/c1-8(2)9-5-15(10(13)6-18-3)12(17)16(9)11(14)7-19-4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one?
1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 280.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-fluoro-2-methoxyethyl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 139925685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).