4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one

C12H20F3IN2O3 — CID 139925727

IUPAC4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(C(C)(C(C)OC)C(F)(F)F)CC1I
InChIInChI=1S/C12H20F3IN2O3/c1-8(21-4)11(2,12(13,14)15)18-7-9(16)17(10(18)19)5-6-20-3/h8-9H,5-7H2,1-4H3
InChIKeyXCWIGJAVJAOYNL-UHFFFAOYSA-N
MW424.20 g/mol
LogP2.49
Rot. Bonds6

About 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one

4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one (PubChem CID 139925727) has the molecular formula C12H20F3IN2O3 and a molecular weight of 424.20 g/mol. Its IUPAC name is 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one
PubChem CID139925727
Molecular FormulaC12H20F3IN2O3
Molecular Weight424.20 g/mol
Exact Mass424.05
IUPAC Name4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(C(C)(C(C)OC)C(F)(F)F)CC1I
InChIInChI=1S/C12H20F3IN2O3/c1-8(21-4)11(2,12(13,14)15)18-7-9(16)17(10(18)19)5-6-20-3/h8-9H,5-7H2,1-4H3
InChIKeyXCWIGJAVJAOYNL-UHFFFAOYSA-N
XLogP2.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one?
The IUPAC name of 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one (CID 139925727) is 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one?
The canonical SMILES for 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one is COCCN1C(=O)N(C(C)(C(C)OC)C(F)(F)F)CC1I.
What is the InChIKey of 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one?
The InChIKey is XCWIGJAVJAOYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3IN2O3/c1-8(21-4)11(2,12(13,14)15)18-7-9(16)17(10(18)19)5-6-20-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one?
4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one has a molecular weight of 424.20 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(2-methoxyethyl)-1-(1,1,1-trifluoro-3-methoxy-2-methylbutan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 139925727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).