2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C14H15F3N2O2 — CID 115282346

IUPAC2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESC=CCOc1ccc(C2NCC(=O)N2CC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-2-7-21-11-5-3-10(4-6-11)13-18-8-12(20)19(13)9-14(15,16)17/h2-6,13,18H,1,7-9H2
InChIKeyNMIPDUOFADJIFH-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.24
Rot. Bonds5

About 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 115282346) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID115282346
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESC=CCOc1ccc(C2NCC(=O)N2CC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c1-2-7-21-11-5-3-10(4-6-11)13-18-8-12(20)19(13)9-14(15,16)17/h2-6,13,18H,1,7-9H2
InChIKeyNMIPDUOFADJIFH-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 115282346) is 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is C=CCOc1ccc(C2NCC(=O)N2CC(F)(F)F)cc1.
What is the InChIKey of 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is NMIPDUOFADJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-2-7-21-11-5-3-10(4-6-11)13-18-8-12(20)19(13)9-14(15,16)17/h2-6,13,18H,1,7-9H2.
What are the key properties of 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 300.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 115282346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).