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

C13H15F3N2O2 — CID 83264982

IUPAC2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESO=C1CNC(c2ccccc2)N1CCOCC(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-20-7-6-18-11(19)8-17-12(18)10-4-2-1-3-5-10/h1-5,12,17H,6-9H2
InChIKeyUUJHJSSOORWKDQ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.70
Rot. Bonds5

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

2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (PubChem CID 83264982) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
PubChem CID83264982
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
SMILESO=C1CNC(c2ccccc2)N1CCOCC(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-20-7-6-18-11(19)8-17-12(18)10-4-2-1-3-5-10/h1-5,12,17H,6-9H2
InChIKeyUUJHJSSOORWKDQ-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264525
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83238354
3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672
2-(4-methoxyphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255096
3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260212
2-(4-propan-2-ylphenyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248898

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The IUPAC name of 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one (CID 83264982) is 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one.
What is the SMILES notation for 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The canonical SMILES for 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is O=C1CNC(c2ccccc2)N1CCOCC(F)(F)F.
What is the InChIKey of 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
The InChIKey is UUJHJSSOORWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)9-20-7-6-18-11(19)8-17-12(18)10-4-2-1-3-5-10/h1-5,12,17H,6-9H2.
What are the key properties of 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one?
2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one has a molecular weight of 288.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one is sourced from PubChem (CID 83264982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).