3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

C12H9F6NO2S — CID 3688527

IUPAC3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OC(F)(F)F)c2)N1CC(F)(F)F
InChIInChI=1S/C12H9F6NO2S/c13-11(14,15)6-19-9(20)5-22-10(19)7-2-1-3-8(4-7)21-12(16,17)18/h1-4,10H,5-6H2
InChIKeyYPQHZLQRQUWFKP-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.72
Rot. Bonds3

About 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3688527) has the molecular formula C12H9F6NO2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3688527
Molecular FormulaC12H9F6NO2S
Molecular Weight345.26 g/mol
Exact Mass345.03
IUPAC Name3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OC(F)(F)F)c2)N1CC(F)(F)F
InChIInChI=1S/C12H9F6NO2S/c13-11(14,15)6-19-9(20)5-22-10(19)7-2-1-3-8(4-7)21-12(16,17)18/h1-4,10H,5-6H2
InChIKeyYPQHZLQRQUWFKP-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 3688527) is 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(OC(F)(F)F)c2)N1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is YPQHZLQRQUWFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F6NO2S/c13-11(14,15)6-19-9(20)5-22-10(19)7-2-1-3-8(4-7)21-12(16,17)18/h1-4,10H,5-6H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 345.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3688527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).