3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione

C6H7F3N2O2S — CID 103935825

IUPAC3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSC(F)(F)F
InChIInChI=1S/C6H7F3N2O2S/c7-6(8,9)14-2-1-11-4(12)3-10-5(11)13/h1-3H2,(H,10,13)
InChIKeyHIHBJDBNYFUOQI-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.79
Rot. Bonds3

About 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione

3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione (PubChem CID 103935825) has the molecular formula C6H7F3N2O2S and a molecular weight of 228.19 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione
PubChem CID103935825
Molecular FormulaC6H7F3N2O2S
Molecular Weight228.19 g/mol
Exact Mass228.02
IUPAC Name3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSC(F)(F)F
InChIInChI=1S/C6H7F3N2O2S/c7-6(8,9)14-2-1-11-4(12)3-10-5(11)13/h1-3H2,(H,10,13)
InChIKeyHIHBJDBNYFUOQI-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione (CID 103935825) is 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is HIHBJDBNYFUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2S/c7-6(8,9)14-2-1-11-4(12)3-10-5(11)13/h1-3H2,(H,10,13).
What are the key properties of 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione?
3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 228.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfanyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103935825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).