(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone

C13H5Br2FOS2 — CID 81105215

IUPAC(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H5Br2FOS2/c14-8-5-11(19-13(8)15)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5H
InChIKeyOANIUWWBHUJEEZ-UHFFFAOYSA-N
MW420.12 g/mol
LogP5.86
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone

(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 81105215) has the molecular formula C13H5Br2FOS2 and a molecular weight of 420.12 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID81105215
Molecular FormulaC13H5Br2FOS2
Molecular Weight420.12 g/mol
Exact Mass417.81
IUPAC Name(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H5Br2FOS2/c14-8-5-11(19-13(8)15)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5H
InChIKeyOANIUWWBHUJEEZ-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.12
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106647478
(5-bromo-3-methyltriazol-4-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 106464325
(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 115803566
(2,5-dichlorothiophen-3-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104851
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
1-(6-fluoro-1-benzothiophen-2-yl)prop-2-yn-1-one
CID 114978567
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
6-fluoro-1-benzothiophene-2-carbonyl azide
CID 81105011
(2-chloro-4-fluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81115002
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)butan-1-one
CID 114976566

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone (CID 81105215) is (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is OANIUWWBHUJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2FOS2/c14-8-5-11(19-13(8)15)12(17)10-3-6-1-2-7(16)4-9(6)18-10/h1-5H.
What are the key properties of (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone?
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 420.12 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 81105215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).