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

C8H8F3NO2S — CID 103818931

IUPACethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-2-14-6(13)3-5-4-12-7(15-5)8(9,10)11/h4H,2-3H2,1H3
InChIKeyHFDMYQVEDAWBKI-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.27
Rot. Bonds3

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

ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate (PubChem CID 103818931) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
PubChem CID103818931
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Nameethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NO2S/c1-2-14-6(13)3-5-4-12-7(15-5)8(9,10)11/h4H,2-3H2,1H3
InChIKeyHFDMYQVEDAWBKI-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate (CID 103818931) is ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is HFDMYQVEDAWBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-2-14-6(13)3-5-4-12-7(15-5)8(9,10)11/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 239.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 103818931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).