2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

C5H6F3NOS — CID 175306402

IUPAC2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(C(F)C(F)F)N1
InChIInChI=1S/C5H6F3NOS/c6-3(4(7)8)5-9-2(10)1-11-5/h3-5H,1H2,(H,9,10)
InChIKeyTUXDATLAZZPINP-UHFFFAOYSA-N
MW185.17 g/mol
LogP0.78
Rot. Bonds2

About 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one

2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 175306402) has the molecular formula C5H6F3NOS and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID175306402
Molecular FormulaC5H6F3NOS
Molecular Weight185.17 g/mol
Exact Mass185.01
IUPAC Name2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(C(F)C(F)F)N1
InChIInChI=1S/C5H6F3NOS/c6-3(4(7)8)5-9-2(10)1-11-5/h3-5H,1H2,(H,9,10)
InChIKeyTUXDATLAZZPINP-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 175306402) is 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is O=C1CSC(C(F)C(F)F)N1.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is TUXDATLAZZPINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NOS/c6-3(4(7)8)5-9-2(10)1-11-5/h3-5H,1H2,(H,9,10).
What are the key properties of 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 185.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 175306402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).