ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate

C8H6F3NO3S — CID 155978068

IUPACethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3NO3S/c1-2-15-6(14)5(13)4-3-12-7(16-4)8(9,10)11/h3H,2H2,1H3
InChIKeyDHQKPWPKTBYHFF-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate

ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate (PubChem CID 155978068) has the molecular formula C8H6F3NO3S and a molecular weight of 253.20 g/mol. Its IUPAC name is ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
PubChem CID155978068
Molecular FormulaC8H6F3NO3S
Molecular Weight253.20 g/mol
Exact Mass253.00
IUPAC Nameethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)C(=O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H6F3NO3S/c1-2-15-6(14)5(13)4-3-12-7(16-4)8(9,10)11/h3H,2H2,1H3
InChIKeyDHQKPWPKTBYHFF-UHFFFAOYSA-N
XLogP1.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
Ethyl 2,2-difluoro-2-(1,3-thiazol-5-yl)acetate
CID 140207168
1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
Methyl [2-(trifluoromethyl)-1,3-thiazol-5-YL]acetate
CID 72214631
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
Ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 103818931
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782452
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate (CID 155978068) is ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate is CCOC(=O)C(=O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is DHQKPWPKTBYHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3S/c1-2-15-6(14)5(13)4-3-12-7(16-4)8(9,10)11/h3H,2H2,1H3.
What are the key properties of ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 253.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 155978068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).