3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C10H6F4N2O2 — CID 3022015

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F4N2O2/c11-7-2-1-5(3-6(7)10(12,13)14)16-8(17)4-15-9(16)18/h1-3H,4H2,(H,15,18)
InChIKeyGOVWGNBMVWHZIZ-UHFFFAOYSA-N
MW262.16 g/mol
LogP1.90
Rot. Bonds1

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 3022015) has the molecular formula C10H6F4N2O2 and a molecular weight of 262.16 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID3022015
Molecular FormulaC10H6F4N2O2
Molecular Weight262.16 g/mol
Exact Mass262.04
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F4N2O2/c11-7-2-1-5(3-6(7)10(12,13)14)16-8(17)4-15-9(16)18/h1-3H,4H2,(H,15,18)
InChIKeyGOVWGNBMVWHZIZ-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
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 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 3022015) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is GOVWGNBMVWHZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O2/c11-7-2-1-5(3-6(7)10(12,13)14)16-8(17)4-15-9(16)18/h1-3H,4H2,(H,15,18).
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 262.16 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3022015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).