methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate

C13H11FO2S — CID 58753334

IUPACmethyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate
SMILESCOC(=O)Cc1csc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H11FO2S/c1-16-13(15)6-9-5-12(17-8-9)10-3-2-4-11(14)7-10/h2-5,7-8H,6H2,1H3
InChIKeyASVHRUIKBMOMDK-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.27
Rot. Bonds3

About methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate

methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate (PubChem CID 58753334) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate
PubChem CID58753334
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Namemethyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate
SMILESCOC(=O)Cc1csc(-c2cccc(F)c2)c1
InChIInChI=1S/C13H11FO2S/c1-16-13(15)6-9-5-12(17-8-9)10-3-2-4-11(14)7-10/h2-5,7-8H,6H2,1H3
InChIKeyASVHRUIKBMOMDK-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate?
The IUPAC name of methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate (CID 58753334) is methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate is COC(=O)Cc1csc(-c2cccc(F)c2)c1.
What is the InChIKey of methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate?
The InChIKey is ASVHRUIKBMOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-16-13(15)6-9-5-12(17-8-9)10-3-2-4-11(14)7-10/h2-5,7-8H,6H2,1H3.
What are the key properties of methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate?
methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate has a molecular weight of 250.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-fluorophenyl)thiophen-3-yl]acetate is sourced from PubChem (CID 58753334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).