1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone

C15H8BrFOS — CID 43161851

IUPAC1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Br)cc1F)c1csc2ccccc12
InChIInChI=1S/C15H8BrFOS/c16-9-5-6-11(13(17)7-9)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-8H
InChIKeyCLRNAWGFHDPJHB-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.03
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone

1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone (PubChem CID 43161851) has the molecular formula C15H8BrFOS and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone
PubChem CID43161851
Molecular FormulaC15H8BrFOS
Molecular Weight335.20 g/mol
Exact Mass333.95
IUPAC Name1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone
SMILESO=C(c1ccc(Br)cc1F)c1csc2ccccc12
InChIInChI=1S/C15H8BrFOS/c16-9-5-6-11(13(17)7-9)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-8H
InChIKeyCLRNAWGFHDPJHB-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-1-(4-bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5285183
(E)-1-(4-bromophenyl)-2-[(4-fluorophenyl)methylsulfonyl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 52948115
1-(5-Bromobenzo[b]thiophen-3-yl)ethanone
CID 617836
6-Bromo-1-benzothiophene-3-carbaldehyde
CID 71743435
[6-(2-Bromophenyl)sulfanyl-4,5,7-trifluoro-1-benzothiophen-2-yl]-phenylmethanone
CID 127035998
(E)-1-(1-benzothiophen-3-yl)-3-phenylprop-2-en-1-one
CID 146011103
Benzo[b]thiophen-3-yl(phenyl)methanone
CID 10847535
2,2,2-Trifluoro-1-(3-phenyl-1-benzothiophen-2-yl)ethanone
CID 132576562
1-(3-(4-Fluorophenyl)-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576566
1-(3-(4-Bromophenyl)-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576570
1-(3-Phenyl-5-fluoro-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576575
Methanone, (3-bromophenyl)-2-dibenzothienyl-
CID 3062521

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone (CID 43161851) is 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone is O=C(c1ccc(Br)cc1F)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone?
The InChIKey is CLRNAWGFHDPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFOS/c16-9-5-6-11(13(17)7-9)15(18)12-8-19-14-4-2-1-3-10(12)14/h1-8H.
What are the key properties of 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone?
1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 43161851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).