5,5-bis(trifluoromethyl)imidazolidine-2,4-dione

C5H2F6N2O2 — CID 22670459

IUPAC5,5-bis(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(F)(F)F)(C(F)(F)F)N1
InChIInChI=1S/C5H2F6N2O2/c6-4(7,8)3(5(9,10)11)1(14)12-2(15)13-3/h(H2,12,13,14,15)
InChIKeyUKXCNCVLSFVRJE-UHFFFAOYSA-N
MW236.07 g/mol
LogP0.69
Rot. Bonds

About 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione

5,5-bis(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 22670459) has the molecular formula C5H2F6N2O2 and a molecular weight of 236.07 g/mol. Its IUPAC name is 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-bis(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID22670459
Molecular FormulaC5H2F6N2O2
Molecular Weight236.07 g/mol
Exact Mass236.00
IUPAC Name5,5-bis(trifluoromethyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C(F)(F)F)(C(F)(F)F)N1
InChIInChI=1S/C5H2F6N2O2/c6-4(7,8)3(5(9,10)11)1(14)12-2(15)13-3/h(H2,12,13,14,15)
InChIKeyUKXCNCVLSFVRJE-UHFFFAOYSA-N
XLogP0.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 50.69
H-Bond Donors ≤ 52
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 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione (CID 22670459) is 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione is O=C1NC(=O)C(C(F)(F)F)(C(F)(F)F)N1.
What is the InChIKey of 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is UKXCNCVLSFVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2O2/c6-4(7,8)3(5(9,10)11)1(14)12-2(15)13-3/h(H2,12,13,14,15).
What are the key properties of 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione?
5,5-bis(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 236.07 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22670459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).