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

C8H8F3NO2S — CID 106782578

IUPAC2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCOC(C)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-4(14-2)6(13)5-3-12-7(15-5)8(9,10)11/h3-4H,1-2H3
InChIKeyNOJUZWLTRSKIHM-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.38
Rot. Bonds3

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

2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 106782578) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
PubChem CID106782578
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
SMILESCOC(C)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-4(14-2)6(13)5-3-12-7(15-5)8(9,10)11/h3-4H,1-2H3
InChIKeyNOJUZWLTRSKIHM-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-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
1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]propan-1-one
CID 174708921
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-(Trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782436
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782438
2,2-Dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782441
3,3,3-Trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782449
3-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782450

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one (CID 106782578) is 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is COC(C)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is NOJUZWLTRSKIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-4(14-2)6(13)5-3-12-7(15-5)8(9,10)11/h3-4H,1-2H3.
What are the key properties of 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one?
2-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, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 106782578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).