(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone

C15H7FO2S2 — CID 115808833

IUPAC(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1cc2sccc2s1
InChIInChI=1S/C15H7FO2S2/c16-9-1-2-10-8(5-9)6-11(18-10)15(17)14-7-13-12(20-14)3-4-19-13/h1-7H
InChIKeyLVNPZGQDXKBUCB-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.08
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone

(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 115808833) has the molecular formula C15H7FO2S2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID115808833
Molecular FormulaC15H7FO2S2
Molecular Weight302.35 g/mol
Exact Mass301.99
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1cc2sccc2s1
InChIInChI=1S/C15H7FO2S2/c16-9-1-2-10-8(5-9)6-11(18-10)15(17)14-7-13-12(20-14)3-4-19-13/h1-7H
InChIKeyLVNPZGQDXKBUCB-UHFFFAOYSA-N
XLogP5.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 105131462
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 170138126
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324
(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725837
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105046125

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone (CID 115808833) is (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone is O=C(c1cc2cc(F)ccc2o1)c1cc2sccc2s1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is LVNPZGQDXKBUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7FO2S2/c16-9-1-2-10-8(5-9)6-11(18-10)15(17)14-7-13-12(20-14)3-4-19-13/h1-7H.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone?
(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 302.35 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 115808833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).