4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one

C11H13F3N2O — CID 88951038

IUPAC4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one
SMILESC/C=C\C=C(/C=C/C(F)(F)F)C1CNC(=O)N1
InChIInChI=1S/C11H13F3N2O/c1-2-3-4-8(5-6-11(12,13)14)9-7-15-10(17)16-9/h2-6,9H,7H2,1H3,(H2,15,16,17)/b3-2-,6-5+,8-4+
InChIKeyXSWVJKVKBAVIHU-SRECFSNQSA-N
MW246.23 g/mol
LogP2.29
Rot. Bonds3

About 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one

4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one (PubChem CID 88951038) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one
PubChem CID88951038
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one
SMILESC/C=C\C=C(/C=C/C(F)(F)F)C1CNC(=O)N1
InChIInChI=1S/C11H13F3N2O/c1-2-3-4-8(5-6-11(12,13)14)9-7-15-10(17)16-9/h2-6,9H,7H2,1H3,(H2,15,16,17)/b3-2-,6-5+,8-4+
InChIKeyXSWVJKVKBAVIHU-SRECFSNQSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one?
The IUPAC name of 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one (CID 88951038) is 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one.
What is the SMILES notation for 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one?
The canonical SMILES for 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one is C/C=C\C=C(/C=C/C(F)(F)F)C1CNC(=O)N1.
What is the InChIKey of 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one?
The InChIKey is XSWVJKVKBAVIHU-SRECFSNQSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-2-3-4-8(5-6-11(12,13)14)9-7-15-10(17)16-9/h2-6,9H,7H2,1H3,(H2,15,16,17)/b3-2-,6-5+,8-4+.
What are the key properties of 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one?
4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one has a molecular weight of 246.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one is sourced from PubChem (CID 88951038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).