5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C12H11F3N2O2 — CID 61314233

IUPAC5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-2-9-10(18)17(11(19)16-9)8-5-3-4-7(6-8)12(13,14)15/h3-6,9H,2H2,1H3,(H,16,19)
InChIKeyDIYYKNXTJLJNSC-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.54
Rot. Bonds2

About 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 61314233) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID61314233
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESCCC1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H11F3N2O2/c1-2-9-10(18)17(11(19)16-9)8-5-3-4-7(6-8)12(13,14)15/h3-6,9H,2H2,1H3,(H,16,19)
InChIKeyDIYYKNXTJLJNSC-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 61314233) is 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is CCC1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is DIYYKNXTJLJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-9-10(18)17(11(19)16-9)8-5-3-4-7(6-8)12(13,14)15/h3-6,9H,2H2,1H3,(H,16,19).
What are the key properties of 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 272.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 61314233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).