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

C6H7F3N2O4 — CID 172804529

IUPAC5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1NC(=O)NC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2O2.C2HF3O2/c1-2-3(7)6-4(8)5-2;3-2(4,5)1(6)7/h2H,1H3,(H2,5,6,7,8);(H,6,7)
InChIKeyRIALIVWIBDQZBB-UHFFFAOYSA-N
MW228.13 g/mol
LogP-0.15
Rot. Bonds

About 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 172804529) has the molecular formula C6H7F3N2O4 and a molecular weight of 228.13 g/mol. Its IUPAC name is 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID172804529
Molecular FormulaC6H7F3N2O4
Molecular Weight228.13 g/mol
Exact Mass228.04
IUPAC Name5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESCC1NC(=O)NC1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2O2.C2HF3O2/c1-2-3(7)6-4(8)5-2;3-2(4,5)1(6)7/h2H,1H3,(H2,5,6,7,8);(H,6,7)
InChIKeyRIALIVWIBDQZBB-UHFFFAOYSA-N
XLogP-0.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
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-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 172804529) is 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is CC1NC(=O)NC1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is RIALIVWIBDQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C2HF3O2/c1-2-3(7)6-4(8)5-2;3-2(4,5)1(6)7/h2H,1H3,(H2,5,6,7,8);(H,6,7).
What are the key properties of 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 228.13 g/mol, XLogP of -0.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172804529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).