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

C21H40F2N2O3 — CID 139925736

IUPAC1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one
SMILESCOCC(F)N1C(=O)N(C(F)COC)C(C(C)C)(C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C21H40F2N2O3/c1-13(2)20(14(3)4)21(15(5)6,16(7)8)25(18(23)12-28-10)19(26)24(20)17(22)11-27-9/h13-18H,11-12H2,1-10H3
InChIKeyGMUKGDMILCOCSS-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.71
Rot. Bonds10

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

1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one (PubChem CID 139925736) has the molecular formula C21H40F2N2O3 and a molecular weight of 406.56 g/mol. Its IUPAC name is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one
PubChem CID139925736
Molecular FormulaC21H40F2N2O3
Molecular Weight406.56 g/mol
Exact Mass406.30
IUPAC Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one
SMILESCOCC(F)N1C(=O)N(C(F)COC)C(C(C)C)(C(C)C)C1(C(C)C)C(C)C
InChIInChI=1S/C21H40F2N2O3/c1-13(2)20(14(3)4)21(15(5)6,16(7)8)25(18(23)12-28-10)19(26)24(20)17(22)11-27-9/h13-18H,11-12H2,1-10H3
InChIKeyGMUKGDMILCOCSS-UHFFFAOYSA-N
XLogP4.71
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.71
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)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one (CID 139925736) is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one is COCC(F)N1C(=O)N(C(F)COC)C(C(C)C)(C(C)C)C1(C(C)C)C(C)C.
What is the InChIKey of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one?
The InChIKey is GMUKGDMILCOCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40F2N2O3/c1-13(2)20(14(3)4)21(15(5)6,16(7)8)25(18(23)12-28-10)19(26)24(20)17(22)11-27-9/h13-18H,11-12H2,1-10H3.
What are the key properties of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one?
1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one has a molecular weight of 406.56 g/mol, XLogP of 4.71, 10 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)-4,4,5,5-tetra(propan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 139925736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).