3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

C8H8F3NO2S — CID 106782450

IUPAC3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCOCCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4H,2-3H2,1H3
InChIKeyZMRCYBGFHCWYJS-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.38
Rot. Bonds4

About 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one

3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782450) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782450
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCOCCC(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4H,2-3H2,1H3
InChIKeyZMRCYBGFHCWYJS-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 3-oxo-3-(1,3-thiazol-5-yl)propanoate
CID 80478263
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanone
CID 58629012
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782432
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 129269984
2,2-Dimethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]propan-1-one
CID 137444337
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
Ethyl 2,2-difluoro-3-oxo-3-(1,3-thiazol-5-yl)propanoate
CID 80478332
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150093
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150094
1-[2-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476008

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782450) is 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is COCCC(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is ZMRCYBGFHCWYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-14-3-2-5(13)6-4-12-7(15-6)8(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one 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 3-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).