(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol

C13H9FOS2 — CID 80745407

IUPAC(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESOC(c1ccc(F)cc1)c1cc2sccc2s1
InChIInChI=1S/C13H9FOS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13,15H
InChIKeyWGPNBIUPXASUMI-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.18
Rot. Bonds2

About (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol

(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 80745407) has the molecular formula C13H9FOS2 and a molecular weight of 264.35 g/mol. Its IUPAC name is (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID80745407
Molecular FormulaC13H9FOS2
Molecular Weight264.35 g/mol
Exact Mass264.01
IUPAC Name(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESOC(c1ccc(F)cc1)c1cc2sccc2s1
InChIInChI=1S/C13H9FOS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13,15H
InChIKeyWGPNBIUPXASUMI-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 80745407) is (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol is OC(c1ccc(F)cc1)c1cc2sccc2s1.
What is the InChIKey of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is WGPNBIUPXASUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FOS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13,15H.
What are the key properties of (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 264.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 80745407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).