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

C8H12F3NOS — CID 156846132

IUPAC2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCCC1(C)SCC(=O)N1CC(F)(F)F
InChIInChI=1S/C8H12F3NOS/c1-3-7(2)12(5-8(9,10)11)6(13)4-14-7/h3-5H2,1-2H3
InChIKeyDARRYVWNGHSCGA-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.25
Rot. Bonds2

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

2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (PubChem CID 156846132) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
PubChem CID156846132
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Name2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one
SMILESCCC1(C)SCC(=O)N1CC(F)(F)F
InChIInChI=1S/C8H12F3NOS/c1-3-7(2)12(5-8(9,10)11)6(13)4-14-7/h3-5H2,1-2H3
InChIKeyDARRYVWNGHSCGA-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one (CID 156846132) is 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is CCC1(C)SCC(=O)N1CC(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
The InChIKey is DARRYVWNGHSCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c1-3-7(2)12(5-8(9,10)11)6(13)4-14-7/h3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one?
2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one has a molecular weight of 227.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 156846132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).