2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C8H8F3NO2S — CID 106782538

IUPAC2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCOCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-2-14-4-5(13)6-3-12-7(15-6)8(9,10)11/h3H,2,4H2,1H3
InChIKeyITACFBVRGYSOLP-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.38
Rot. Bonds4

About 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 106782538) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID106782538
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCCOCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-2-14-4-5(13)6-3-12-7(15-6)8(9,10)11/h3H,2,4H2,1H3
InChIKeyITACFBVRGYSOLP-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
Carbanide;2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanone;tungsten
CID 161822031
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 170758118
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanone
CID 79964750
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]ethan-1-one
CID 84767281
1-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 84770360

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 106782538) is 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is CCOCC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is ITACFBVRGYSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-2-14-4-5(13)6-3-12-7(15-6)8(9,10)11/h3H,2,4H2,1H3.
What are the key properties of 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 239.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 106782538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).