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

C13H8F2OS2 — CID 80745410

IUPAC(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESOC(c1cc2sccc2s1)c1ccc(F)cc1F
InChIInChI=1S/C13H8F2OS2/c14-7-1-2-8(9(15)5-7)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13,16H
InChIKeyKHCZEBWKONBIMN-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.32
Rot. Bonds2

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

(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol (PubChem CID 80745410) has the molecular formula C13H8F2OS2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
PubChem CID80745410
Molecular FormulaC13H8F2OS2
Molecular Weight282.34 g/mol
Exact Mass282.00
IUPAC Name(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
SMILESOC(c1cc2sccc2s1)c1ccc(F)cc1F
InChIInChI=1S/C13H8F2OS2/c14-7-1-2-8(9(15)5-7)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13,16H
InChIKeyKHCZEBWKONBIMN-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 81044859
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
(5-chloro-2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 104546249
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
CID 81141862
(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744829
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
(2,4-difluorophenyl)methanediol
CID 91089962
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The IUPAC name of (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol (CID 80745410) is (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol.
What is the SMILES notation for (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The canonical SMILES for (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol is OC(c1cc2sccc2s1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
The InChIKey is KHCZEBWKONBIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2OS2/c14-7-1-2-8(9(15)5-7)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13,16H.
What are the key properties of (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol?
(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol has a molecular weight of 282.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol is sourced from PubChem (CID 80745410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).