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

C8H7F4NO2S — CID 106784029

IUPACethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)C(F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H7F4NO2S/c1-2-15-6(14)5(9)4-3-13-7(16-4)8(10,11)12/h3,5H,2H2,1H3
InChIKeyGEMCTNUYIWELNR-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.74
Rot. Bonds3

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

ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate (PubChem CID 106784029) has the molecular formula C8H7F4NO2S and a molecular weight of 257.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
PubChem CID106784029
Molecular FormulaC8H7F4NO2S
Molecular Weight257.21 g/mol
Exact Mass257.01
IUPAC Nameethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)C(F)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H7F4NO2S/c1-2-15-6(14)5(9)4-3-13-7(16-4)8(10,11)12/h3,5H,2H2,1H3
InChIKeyGEMCTNUYIWELNR-UHFFFAOYSA-N
XLogP2.74
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
Methyl 2-(2-chloro-1,3-thiazol-5-yl)acetate
CID 71721406
2-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroacetic acid
CID 154879069
Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl [2-(methylsulfanyl)-1,3-thiazol-5-yl]acetate
CID 71426524
5-(2-Methoxyethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 66911472
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate (CID 106784029) is ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate is CCOC(=O)C(F)c1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is GEMCTNUYIWELNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2S/c1-2-15-6(14)5(9)4-3-13-7(16-4)8(10,11)12/h3,5H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate?
ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 257.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 106784029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).