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

C12H11F3N2O2 — CID 79266137

IUPAC3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)CN(CC(F)(F)F)C2=O)c1
InChIInChI=1S/C12H11F3N2O2/c1-8-3-2-4-9(5-8)17-10(18)6-16(11(17)19)7-12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyLPESMJVERWNCAX-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.33
Rot. Bonds2

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

3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 79266137) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID79266137
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1cccc(N2C(=O)CN(CC(F)(F)F)C2=O)c1
InChIInChI=1S/C12H11F3N2O2/c1-8-3-2-4-9(5-8)17-10(18)6-16(11(17)19)7-12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyLPESMJVERWNCAX-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 79266137) is 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is Cc1cccc(N2C(=O)CN(CC(F)(F)F)C2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is LPESMJVERWNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-8-3-2-4-9(5-8)17-10(18)6-16(11(17)19)7-12(13,14)15/h2-5H,6-7H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 272.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 79266137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).