1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C11H9F3N2O2 — CID 113225089

IUPAC1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-16-9(17)6-15(10(16)18)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyXGQRHXUMKFRGLM-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.02
Rot. Bonds2

About 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 113225089) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID113225089
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-16-9(17)6-15(10(16)18)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyXGQRHXUMKFRGLM-UHFFFAOYSA-N
XLogP2.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(morpholin-4-ylmethyl)-1-phenylimidazolidine-2,4-dione
CID 781366
ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
3-(3-fluorophenyl)-1-phenylimidazolidine-2,4-dione
CID 61030217
1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126854984
1-phenyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 55919363
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 60519605
3-cyclopropyl-1-phenylimidazolidine-2,4-dione
CID 62700804
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 136577810
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-methyl-N-(1-phenylethyl)acetamide
CID 60519018
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N,N-bis(3-methylbutyl)acetamide
CID 55867688
1-(4-methylphenyl)-3-(2,2,2-trifluoroethyl)-1,3-diazinane-2,4,6-trione
CID 25174724
1-methyl-3-phenyl-1,3-diazinane-2,5-dione
CID 22323527

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 113225089) is 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is XGQRHXUMKFRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-16-9(17)6-15(10(16)18)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 258.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 113225089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).