ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate

C7H6ClF2NO2S — CID 170912876

IUPACethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cnc(Cl)s1
InChIInChI=1S/C7H6ClF2NO2S/c1-2-13-5(12)7(9,10)4-3-11-6(8)14-4/h3H,2H2,1H3
InChIKeyVSDHHGBFEYJFGN-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.45
Rot. Bonds3

About ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate

ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate (PubChem CID 170912876) has the molecular formula C7H6ClF2NO2S and a molecular weight of 241.65 g/mol. Its IUPAC name is ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
PubChem CID170912876
Molecular FormulaC7H6ClF2NO2S
Molecular Weight241.65 g/mol
Exact Mass240.98
IUPAC Nameethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cnc(Cl)s1
InChIInChI=1S/C7H6ClF2NO2S/c1-2-13-5(12)7(9,10)4-3-11-6(8)14-4/h3H,2H2,1H3
InChIKeyVSDHHGBFEYJFGN-UHFFFAOYSA-N
XLogP2.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032
2,2-Difluoro-2-(thiazol-5-yl)acetic acid
CID 132353917
Ethyl 2,2-difluoro-2-(1,3-thiazol-5-yl)acetate
CID 140207168
2-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]acetic acid
CID 174738797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate (CID 170912876) is ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cnc(Cl)s1.
What is the InChIKey of ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate?
The InChIKey is VSDHHGBFEYJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2S/c1-2-13-5(12)7(9,10)4-3-11-6(8)14-4/h3H,2H2,1H3.
What are the key properties of ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate?
ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate has a molecular weight of 241.65 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate is sourced from PubChem (CID 170912876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).