1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione

C7H9F3N2O2S — CID 116627609

IUPAC1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCSC(F)(F)F)C(=O)CN1
InChIInChI=1S/C7H9F3N2O2S/c8-7(9,10)15-2-1-12-4-5(13)11-3-6(12)14/h1-4H2,(H,11,13)
InChIKeyGFTDXFGRZPBJAN-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.20
Rot. Bonds3

About 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione

1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione (PubChem CID 116627609) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
PubChem CID116627609
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC Name1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCSC(F)(F)F)C(=O)CN1
InChIInChI=1S/C7H9F3N2O2S/c8-7(9,10)15-2-1-12-4-5(13)11-3-6(12)14/h1-4H2,(H,11,13)
InChIKeyGFTDXFGRZPBJAN-UHFFFAOYSA-N
XLogP0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione (CID 116627609) is 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione is O=C1CN(CCSC(F)(F)F)C(=O)CN1.
What is the InChIKey of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
The InChIKey is GFTDXFGRZPBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c8-7(9,10)15-2-1-12-4-5(13)11-3-6(12)14/h1-4H2,(H,11,13).
What are the key properties of 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione?
1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione has a molecular weight of 242.22 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 116627609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).