1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

C6H7F3N2O4 — CID 175693348

IUPAC1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCN1CC(=O)NC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2O2.C2HF3O2/c1-6-2-3(7)5-4(6)8;3-2(4,5)1(6)7/h2H2,1H3,(H,5,7,8);(H,6,7)
InChIKeyQLJYEWIPHVKQGF-UHFFFAOYSA-N
MW228.13 g/mol
LogP-0.20
Rot. Bonds

About 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 175693348) has the molecular formula C6H7F3N2O4 and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID175693348
Molecular FormulaC6H7F3N2O4
Molecular Weight228.13 g/mol
Exact Mass228.04
IUPAC Name1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCN1CC(=O)NC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2O2.C2HF3O2/c1-6-2-3(7)5-4(6)8;3-2(4,5)1(6)7/h2H2,1H3,(H,5,7,8);(H,6,7)
InChIKeyQLJYEWIPHVKQGF-UHFFFAOYSA-N
XLogP-0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
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 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 175693348) is 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is CN1CC(=O)NC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is QLJYEWIPHVKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C2HF3O2/c1-6-2-3(7)5-4(6)8;3-2(4,5)1(6)7/h2H2,1H3,(H,5,7,8);(H,6,7).
What are the key properties of 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 228.13 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175693348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).