methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate

C15H11FO2S2 — CID 2808191

IUPACmethyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(F)cc3)sc2c1C
InChIInChI=1S/C15H11FO2S2/c1-8-13-12(20-14(8)15(17)18-2)7-11(19-13)9-3-5-10(16)6-4-9/h3-7H,1-2H3
InChIKeyMYCJXEZAXXUZPL-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.86
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate

methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate (PubChem CID 2808191) has the molecular formula C15H11FO2S2 and a molecular weight of 306.38 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate
PubChem CID2808191
Molecular FormulaC15H11FO2S2
Molecular Weight306.38 g/mol
Exact Mass306.02
IUPAC Namemethyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCOC(=O)c1sc2cc(-c3ccc(F)cc3)sc2c1C
InChIInChI=1S/C15H11FO2S2/c1-8-13-12(20-14(8)15(17)18-2)7-11(19-13)9-3-5-10(16)6-4-9/h3-7H,1-2H3
InChIKeyMYCJXEZAXXUZPL-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate (CID 2808191) is methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate is COC(=O)c1sc2cc(-c3ccc(F)cc3)sc2c1C.
What is the InChIKey of methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is MYCJXEZAXXUZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2S2/c1-8-13-12(20-14(8)15(17)18-2)7-11(19-13)9-3-5-10(16)6-4-9/h3-7H,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate?
methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 306.38 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-6-methylthieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 2808191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).