2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

C11H13F3N2O2S — CID 83264771

IUPAC2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESO=C1CNC(c2ccsc2)N1CCOCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)7-18-3-2-16-9(17)5-15-10(16)8-1-4-19-6-8/h1,4,6,10,15H,2-3,5,7H2
InChIKeyOCTANIIVLFHZCG-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.76
Rot. Bonds5

About 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one

2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83264771) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83264771
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESO=C1CNC(c2ccsc2)N1CCOCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)7-18-3-2-16-9(17)5-15-10(16)8-1-4-19-6-8/h1,4,6,10,15H,2-3,5,7H2
InChIKeyOCTANIIVLFHZCG-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83264771) is 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is O=C1CNC(c2ccsc2)N1CCOCC(F)(F)F.
What is the InChIKey of 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is OCTANIIVLFHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)7-18-3-2-16-9(17)5-15-10(16)8-1-4-19-6-8/h1,4,6,10,15H,2-3,5,7H2.
What are the key properties of 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 294.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83264771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).