2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid

C8H12F3NO2S — CID 20978193

IUPAC2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid
SMILESCC1(C)NC(C)(C(F)(F)F)SC1C(=O)O
InChIInChI=1S/C8H12F3NO2S/c1-6(2)4(5(13)14)15-7(3,12-6)8(9,10)11/h4,12H,1-3H3,(H,13,14)
InChIKeyFGDBFWVMAUMQES-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.83
Rot. Bonds1

About 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid

2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid (PubChem CID 20978193) has the molecular formula C8H12F3NO2S and a molecular weight of 243.25 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid
PubChem CID20978193
Molecular FormulaC8H12F3NO2S
Molecular Weight243.25 g/mol
Exact Mass243.05
IUPAC Name2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid
SMILESCC1(C)NC(C)(C(F)(F)F)SC1C(=O)O
InChIInChI=1S/C8H12F3NO2S/c1-6(2)4(5(13)14)15-7(3,12-6)8(9,10)11/h4,12H,1-3H3,(H,13,14)
InChIKeyFGDBFWVMAUMQES-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid (CID 20978193) is 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid is CC1(C)NC(C)(C(F)(F)F)SC1C(=O)O.
What is the InChIKey of 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is FGDBFWVMAUMQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2S/c1-6(2)4(5(13)14)15-7(3,12-6)8(9,10)11/h4,12H,1-3H3,(H,13,14).
What are the key properties of 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid?
2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 243.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-(trifluoromethyl)-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 20978193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).