1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one

C17H19F15N2O3 — CID 139925698

IUPAC1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one
SMILESCOC(C)CN1C(=O)N(CC(C)OC)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C1C(F)(F)C(F)(F)F
InChIInChI=1S/C17H19F15N2O3/c1-7(36-3)5-33-9(12(18,19)15(24,25)26)11(13(20,21)16(27,28)29,14(22,23)17(30,31)32)34(10(33)35)6-8(2)37-4/h7-9H,5-6H2,1-4H3
InChIKeyJAHWLASJMKDYQR-UHFFFAOYSA-N
MW584.32 g/mol
LogP5.49
Rot. Bonds9

About 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one

1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one (PubChem CID 139925698) has the molecular formula C17H19F15N2O3 and a molecular weight of 584.32 g/mol. Its IUPAC name is 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one
PubChem CID139925698
Molecular FormulaC17H19F15N2O3
Molecular Weight584.32 g/mol
Exact Mass584.12
IUPAC Name1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one
SMILESCOC(C)CN1C(=O)N(CC(C)OC)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C1C(F)(F)C(F)(F)F
InChIInChI=1S/C17H19F15N2O3/c1-7(36-3)5-33-9(12(18,19)15(24,25)26)11(13(20,21)16(27,28)29,14(22,23)17(30,31)32)34(10(33)35)6-8(2)37-4/h7-9H,5-6H2,1-4H3
InChIKeyJAHWLASJMKDYQR-UHFFFAOYSA-N
XLogP5.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.32
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one (CID 139925698) is 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one is COC(C)CN1C(=O)N(CC(C)OC)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C1C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one?
The InChIKey is JAHWLASJMKDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F15N2O3/c1-7(36-3)5-33-9(12(18,19)15(24,25)26)11(13(20,21)16(27,28)29,14(22,23)17(30,31)32)34(10(33)35)6-8(2)37-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one?
1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one has a molecular weight of 584.32 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 139925698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).