2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid

C6H3F4NO2S — CID 19885583

IUPAC2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(F)nc1CC(F)(F)F
InChIInChI=1S/C6H3F4NO2S/c7-5-11-2(1-6(8,9)10)3(14-5)4(12)13/h1H2,(H,12,13)
InChIKeyWUXJXSZGOVFQBT-UHFFFAOYSA-N
MW229.15 g/mol
LogP2.09
Rot. Bonds2

About 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid

2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885583) has the molecular formula C6H3F4NO2S and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885583
Molecular FormulaC6H3F4NO2S
Molecular Weight229.15 g/mol
Exact Mass228.98
IUPAC Name2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(F)nc1CC(F)(F)F
InChIInChI=1S/C6H3F4NO2S/c7-5-11-2(1-6(8,9)10)3(14-5)4(12)13/h1H2,(H,12,13)
InChIKeyWUXJXSZGOVFQBT-UHFFFAOYSA-N
XLogP2.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid (CID 19885583) is 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(F)nc1CC(F)(F)F.
What is the InChIKey of 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WUXJXSZGOVFQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO2S/c7-5-11-2(1-6(8,9)10)3(14-5)4(12)13/h1H2,(H,12,13).
What are the key properties of 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.15 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).