1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one

C11H10F5N3O — CID 115564338

IUPAC1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5N3O/c12-5-6(13)8(15)10(9(16)7(5)14)17-1-3-19-4-2-18-11(19)20/h17H,1-4H2,(H,18,20)
InChIKeyZFTWFUFXZXNCNC-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one

1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one (PubChem CID 115564338) has the molecular formula C11H10F5N3O and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
PubChem CID115564338
Molecular FormulaC11H10F5N3O
Molecular Weight295.21 g/mol
Exact Mass295.07
IUPAC Name1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5N3O/c12-5-6(13)8(15)10(9(16)7(5)14)17-1-3-19-4-2-18-11(19)20/h17H,1-4H2,(H,18,20)
InChIKeyZFTWFUFXZXNCNC-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one (CID 115564338) is 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one?
The InChIKey is ZFTWFUFXZXNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5N3O/c12-5-6(13)8(15)10(9(16)7(5)14)17-1-3-19-4-2-18-11(19)20/h17H,1-4H2,(H,18,20).
What are the key properties of 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one?
1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one has a molecular weight of 295.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 115564338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).