ethyl 2-(3,4-difluorothiophen-2-yl)acetate

C8H8F2O2S — CID 70546503

IUPACethyl 2-(3,4-difluorothiophen-2-yl)acetate
SMILESCCOC(=O)Cc1scc(F)c1F
InChIInChI=1S/C8H8F2O2S/c1-2-12-7(11)3-6-8(10)5(9)4-13-6/h4H,2-3H2,1H3
InChIKeyCUDBSVMCHFEALD-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.13
Rot. Bonds3

About ethyl 2-(3,4-difluorothiophen-2-yl)acetate

ethyl 2-(3,4-difluorothiophen-2-yl)acetate (PubChem CID 70546503) has the molecular formula C8H8F2O2S and a molecular weight of 206.21 g/mol. Its IUPAC name is ethyl 2-(3,4-difluorothiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-difluorothiophen-2-yl)acetate
PubChem CID70546503
Molecular FormulaC8H8F2O2S
Molecular Weight206.21 g/mol
Exact Mass206.02
IUPAC Nameethyl 2-(3,4-difluorothiophen-2-yl)acetate
SMILESCCOC(=O)Cc1scc(F)c1F
InChIInChI=1S/C8H8F2O2S/c1-2-12-7(11)3-6-8(10)5(9)4-13-6/h4H,2-3H2,1H3
InChIKeyCUDBSVMCHFEALD-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-hydroxy-3-(trifluoromethyl)thiophen-2-yl]acetate
CID 19087801
ethyl 4-(2-ethoxy-2-oxoethyl)-2,3,5-trifluorobenzoate
CID 22666446
ethyl 2-[4-(chloromethyl)-2,6-difluorophenyl]acetate
CID 171020029
ethyl 2-(2-benzothiophen-1-yl)acetate
CID 125467853
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
CID 86137864
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
ethyl 2-(5-fluoro-7-methyl-1-benzothiophen-3-yl)acetate
CID 135380465
ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 86662985
ethyl 2-(4-bromo-2-hydroxythiophen-3-yl)acetate
CID 68933507
ethyl 2-[2-(4-aminobutyl)-1,3-thiazol-4-yl]acetate
CID 107380238
ethyl 2-[4-(chloromethyl)-2-fluoro-6-methylphenyl]acetate
CID 171020315

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-difluorothiophen-2-yl)acetate?
The IUPAC name of ethyl 2-(3,4-difluorothiophen-2-yl)acetate (CID 70546503) is ethyl 2-(3,4-difluorothiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4-difluorothiophen-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,4-difluorothiophen-2-yl)acetate is CCOC(=O)Cc1scc(F)c1F.
What is the InChIKey of ethyl 2-(3,4-difluorothiophen-2-yl)acetate?
The InChIKey is CUDBSVMCHFEALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2S/c1-2-12-7(11)3-6-8(10)5(9)4-13-6/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(3,4-difluorothiophen-2-yl)acetate?
ethyl 2-(3,4-difluorothiophen-2-yl)acetate has a molecular weight of 206.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-difluorothiophen-2-yl)acetate is sourced from PubChem (CID 70546503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).