5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C12H11F3N2O3 — CID 13268067

IUPAC5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C12H11F3N2O3/c1-11(2)9(18)17(10(19)16-11)7-3-5-8(6-4-7)20-12(13,14)15/h3-6H,1-2H3,(H,16,19)
InChIKeyQISYBHSMEUWTFG-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.42
Rot. Bonds2

About 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 13268067) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID13268067
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C12H11F3N2O3/c1-11(2)9(18)17(10(19)16-11)7-3-5-8(6-4-7)20-12(13,14)15/h3-6H,1-2H3,(H,16,19)
InChIKeyQISYBHSMEUWTFG-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 13268067) is 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is QISYBHSMEUWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-11(2)9(18)17(10(19)16-11)7-3-5-8(6-4-7)20-12(13,14)15/h3-6H,1-2H3,(H,16,19).
What are the key properties of 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 288.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 13268067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).