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

C5H6F3NOS — CID 158035557

IUPAC3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(F)(F)F
InChIInChI=1S/C5H6F3NOS/c6-5(7,8)2-9-3-11-1-4(9)10/h1-3H2
InChIKeyIROMMHBSNQQJOI-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.08
Rot. Bonds1

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

3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 158035557) has the molecular formula C5H6F3NOS and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID158035557
Molecular FormulaC5H6F3NOS
Molecular Weight185.17 g/mol
Exact Mass185.01
IUPAC Name3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(F)(F)F
InChIInChI=1S/C5H6F3NOS/c6-5(7,8)2-9-3-11-1-4(9)10/h1-3H2
InChIKeyIROMMHBSNQQJOI-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 158035557) is 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is O=C1CSCN1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is IROMMHBSNQQJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NOS/c6-5(7,8)2-9-3-11-1-4(9)10/h1-3H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 185.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 158035557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).