1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one

C15H28F2N2O3 — CID 139925617

IUPAC1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one
SMILESCOCC(F)N1C(=O)N(C(F)COC)C(C(C)C)C1C(C)C
InChIInChI=1S/C15H28F2N2O3/c1-9(2)13-14(10(3)4)19(12(17)8-22-6)15(20)18(13)11(16)7-21-5/h9-14H,7-8H2,1-6H3
InChIKeyIFSOXYKXEQCFIF-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.66
Rot. Bonds8

About 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one

1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one (PubChem CID 139925617) has the molecular formula C15H28F2N2O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one
PubChem CID139925617
Molecular FormulaC15H28F2N2O3
Molecular Weight322.40 g/mol
Exact Mass322.21
IUPAC Name1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one
SMILESCOCC(F)N1C(=O)N(C(F)COC)C(C(C)C)C1C(C)C
InChIInChI=1S/C15H28F2N2O3/c1-9(2)13-14(10(3)4)19(12(17)8-22-6)15(20)18(13)11(16)7-21-5/h9-14H,7-8H2,1-6H3
InChIKeyIFSOXYKXEQCFIF-UHFFFAOYSA-N
XLogP2.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.66
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)-4,5-di(propan-2-yl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one (CID 139925617) is 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one is COCC(F)N1C(=O)N(C(F)COC)C(C(C)C)C1C(C)C.
What is the InChIKey of 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one?
The InChIKey is IFSOXYKXEQCFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O3/c1-9(2)13-14(10(3)4)19(12(17)8-22-6)15(20)18(13)11(16)7-21-5/h9-14H,7-8H2,1-6H3.
What are the key properties of 1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one?
1,3-bis(1-fluoro-2-methoxyethyl)-4,5-di(propan-2-yl)imidazolidin-2-one has a molecular weight of 322.40 g/mol, XLogP of 2.66, 8 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)-4,5-di(propan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 139925617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).