2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C7H6F6N2O4 — CID 175693746

IUPAC2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(O)C(F)(F)F.O=C1CN(CC(F)(F)F)C(=O)N1
InChIInChI=1S/C5H5F3N2O2.C2HF3O2/c6-5(7,8)2-10-1-3(11)9-4(10)12;3-2(4,5)1(6)7/h1-2H2,(H,9,11,12);(H,6,7)
InChIKeyJIPGBAJENZTPGS-UHFFFAOYSA-N
MW296.12 g/mol
LogP0.73
Rot. Bonds1

About 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 175693746) has the molecular formula C7H6F6N2O4 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID175693746
Molecular FormulaC7H6F6N2O4
Molecular Weight296.12 g/mol
Exact Mass296.02
IUPAC Name2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(O)C(F)(F)F.O=C1CN(CC(F)(F)F)C(=O)N1
InChIInChI=1S/C5H5F3N2O2.C2HF3O2/c6-5(7,8)2-10-1-3(11)9-4(10)12;3-2(4,5)1(6)7/h1-2H2,(H,9,11,12);(H,6,7)
InChIKeyJIPGBAJENZTPGS-UHFFFAOYSA-N
XLogP0.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 50.73
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 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 175693746) is 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(O)C(F)(F)F.O=C1CN(CC(F)(F)F)C(=O)N1.
What is the InChIKey of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is JIPGBAJENZTPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2.C2HF3O2/c6-5(7,8)2-10-1-3(11)9-4(10)12;3-2(4,5)1(6)7/h1-2H2,(H,9,11,12);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 296.12 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 175693746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).