imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

C5H5F3N2O4 — CID 70000154

IUPACimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C2HF3O2/c6-2-1-4-3(7)5-2;3-2(4,5)1(6)7/h1H2,(H2,4,5,6,7);(H,6,7)
InChIKeyPXKMTGMNZZCQQB-UHFFFAOYSA-N
MW214.10 g/mol
LogP-0.54
Rot. Bonds

About imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 70000154) has the molecular formula C5H5F3N2O4 and a molecular weight of 214.10 g/mol. Its IUPAC name is imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID70000154
Molecular FormulaC5H5F3N2O4
Molecular Weight214.10 g/mol
Exact Mass214.02
IUPAC Nameimidazolidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C2HF3O2/c6-2-1-4-3(7)5-2;3-2(4,5)1(6)7/h1H2,(H2,4,5,6,7);(H,6,7)
InChIKeyPXKMTGMNZZCQQB-UHFFFAOYSA-N
XLogP-0.54
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 5-0.54
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 imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 70000154) is imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is PXKMTGMNZZCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.C2HF3O2/c6-2-1-4-3(7)5-2;3-2(4,5)1(6)7/h1H2,(H2,4,5,6,7);(H,6,7).
What are the key properties of imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid?
imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 214.10 g/mol, XLogP of -0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70000154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).