2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid

C8H8F3NO3S — CID 103146562

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)4-15-2-1-6-12-3-5(16-6)7(13)14/h3H,1-2,4H2,(H,13,14)
InChIKeyGXUVYFOGGMIBQR-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.96
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 103146562) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID103146562
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)4-15-2-1-6-12-3-5(16-6)7(13)14/h3H,1-2,4H2,(H,13,14)
InChIKeyGXUVYFOGGMIBQR-UHFFFAOYSA-N
XLogP1.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
2-(1,1-Dimethylethyl)-5-thiazolecarboxylic acid
CID 19885529
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 15171126
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-Ethoxy-1,3-thiazole-5-carboxylic acid
CID 16494898
2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 19786342
2-Fluoro-5-thiazolecarboxylic acid
CID 19885491
2-(Methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 19885554
2-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 21611535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid (CID 103146562) is 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CCOCC(F)(F)F)s1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is GXUVYFOGGMIBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)4-15-2-1-6-12-3-5(16-6)7(13)14/h3H,1-2,4H2,(H,13,14).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.22 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103146562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).