2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid

C7H6F3NO3S — CID 103473412

IUPAC2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)3-14-2-5-11-1-4(15-5)6(12)13/h1H,2-3H2,(H,12,13)
InChIKeyQJGNQNHVKGQKNF-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.92
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 103473412) has the molecular formula C7H6F3NO3S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID103473412
Molecular FormulaC7H6F3NO3S
Molecular Weight241.19 g/mol
Exact Mass241.00
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO3S/c8-7(9,10)3-14-2-5-11-1-4(15-5)6(12)13/h1H,2-3H2,(H,12,13)
InChIKeyQJGNQNHVKGQKNF-UHFFFAOYSA-N
XLogP1.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 103473412) is 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(COCC(F)(F)F)s1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is QJGNQNHVKGQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3S/c8-7(9,10)3-14-2-5-11-1-4(15-5)6(12)13/h1H,2-3H2,(H,12,13).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103473412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).