ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate

C12H11FO2S — CID 86137864

IUPACethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
SMILESCCOC(=O)Cc1csc2cccc(F)c12
InChIInChI=1S/C12H11FO2S/c1-2-15-11(14)6-8-7-16-10-5-3-4-9(13)12(8)10/h3-5,7H,2,6H2,1H3
InChIKeyOIMSHECGQNMFIZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.15
Rot. Bonds3

About ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate

ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate (PubChem CID 86137864) has the molecular formula C12H11FO2S and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
PubChem CID86137864
Molecular FormulaC12H11FO2S
Molecular Weight238.28 g/mol
Exact Mass238.05
IUPAC Nameethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate
SMILESCCOC(=O)Cc1csc2cccc(F)c12
InChIInChI=1S/C12H11FO2S/c1-2-15-11(14)6-8-7-16-10-5-3-4-9(13)12(8)10/h3-5,7H,2,6H2,1H3
InChIKeyOIMSHECGQNMFIZ-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-1-benzothiophen-3-yl)methanol
CID 117119260
(4-methyl-1-benzothiophen-3-yl)methyl 2,2,2-trifluoroacetate
CID 11208073
4-fluoro-3-[(2-methylphenoxy)methyl]-1-benzothiophene
CID 117170884
ethyl 2-(3,4-difluorothiophen-2-yl)acetate
CID 70546503
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
ethyl 2-(5-ethyl-1-benzothiophen-3-yl)acetate
CID 15816638
ethyl 2-(4-fluoro-3-methyl-1-benzothiophen-2-yl)-2-oxoacetate
CID 115072689
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
ethyl 2-(4-fluoronaphthalen-1-yl)acetate
CID 131631742
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate?
The IUPAC name of ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate (CID 86137864) is ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate is CCOC(=O)Cc1csc2cccc(F)c12.
What is the InChIKey of ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate?
The InChIKey is OIMSHECGQNMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2S/c1-2-15-11(14)6-8-7-16-10-5-3-4-9(13)12(8)10/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate?
ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate has a molecular weight of 238.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-1-benzothiophen-3-yl)acetate is sourced from PubChem (CID 86137864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).