5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one

C5H6F3NOS — CID 102530675

IUPAC5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one
SMILESO=C1NCC(CC(F)(F)F)S1
InChIInChI=1S/C5H6F3NOS/c6-5(7,8)1-3-2-9-4(10)11-3/h3H,1-2H2,(H,9,10)
InChIKeyMKFGGDVYUXVDAQ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.76
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one

5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one (PubChem CID 102530675) has the molecular formula C5H6F3NOS and a molecular weight of 185.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one
PubChem CID102530675
Molecular FormulaC5H6F3NOS
Molecular Weight185.17 g/mol
Exact Mass185.01
IUPAC Name5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one
SMILESO=C1NCC(CC(F)(F)F)S1
InChIInChI=1S/C5H6F3NOS/c6-5(7,8)1-3-2-9-4(10)11-3/h3H,1-2H2,(H,9,10)
InChIKeyMKFGGDVYUXVDAQ-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one (CID 102530675) is 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one is O=C1NCC(CC(F)(F)F)S1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one?
The InChIKey is MKFGGDVYUXVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NOS/c6-5(7,8)1-3-2-9-4(10)11-3/h3H,1-2H2,(H,9,10).
What are the key properties of 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one?
5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one has a molecular weight of 185.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 102530675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).