1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one

C18H25F11N2O3 — CID 139925686

IUPAC1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
SMILESCOCC(F)N1C(=O)N(C(F)COC)C(C(C)C(F)(F)F)(C(C)C(F)(F)F)C1C(C)C(F)(F)F
InChIInChI=1S/C18H25F11N2O3/c1-8(16(21,22)23)13-15(9(2)17(24,25)26,10(3)18(27,28)29)31(12(20)7-34-5)14(32)30(13)11(19)6-33-4/h8-13H,6-7H2,1-5H3
InChIKeyKIEZGLAPIXQYFE-UHFFFAOYSA-N
MW526.39 g/mol
LogP5.31
Rot. Bonds9

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

1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one (PubChem CID 139925686) has the molecular formula C18H25F11N2O3 and a molecular weight of 526.39 g/mol. Its IUPAC name is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
PubChem CID139925686
Molecular FormulaC18H25F11N2O3
Molecular Weight526.39 g/mol
Exact Mass526.17
IUPAC Name1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one
SMILESCOCC(F)N1C(=O)N(C(F)COC)C(C(C)C(F)(F)F)(C(C)C(F)(F)F)C1C(C)C(F)(F)F
InChIInChI=1S/C18H25F11N2O3/c1-8(16(21,22)23)13-15(9(2)17(24,25)26,10(3)18(27,28)29)31(12(20)7-34-5)14(32)30(13)11(19)6-33-4/h8-13H,6-7H2,1-5H3
InChIKeyKIEZGLAPIXQYFE-UHFFFAOYSA-N
XLogP5.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.39
LogP ≤ 55.31
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-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one (CID 139925686) is 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one is COCC(F)N1C(=O)N(C(F)COC)C(C(C)C(F)(F)F)(C(C)C(F)(F)F)C1C(C)C(F)(F)F.
What is the InChIKey of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one?
The InChIKey is KIEZGLAPIXQYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F11N2O3/c1-8(16(21,22)23)13-15(9(2)17(24,25)26,10(3)18(27,28)29)31(12(20)7-34-5)14(32)30(13)11(19)6-33-4/h8-13H,6-7H2,1-5H3.
What are the key properties of 1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one?
1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one has a molecular weight of 526.39 g/mol, XLogP of 5.31, 9 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-tris(1,1,1-trifluoropropan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 139925686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).