3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione

C10H6F3NO2S — CID 2732564

IUPAC3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)6-1-3-7(4-2-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChIKeyHPJVOSGPDFWUFJ-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.91
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione

3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2732564) has the molecular formula C10H6F3NO2S and a molecular weight of 261.22 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID2732564
Molecular FormulaC10H6F3NO2S
Molecular Weight261.22 g/mol
Exact Mass261.01
IUPAC Name3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F3NO2S/c11-10(12,13)6-1-3-7(4-2-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChIKeyHPJVOSGPDFWUFJ-UHFFFAOYSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione (CID 2732564) is 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HPJVOSGPDFWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2S/c11-10(12,13)6-1-3-7(4-2-6)14-8(15)5-17-9(14)16/h1-4H,5H2.
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione?
3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 261.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2732564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).