1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone

C15H8BrFOS — CID 115784586

IUPAC1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc2ccccc2s1)c1cc(Br)ccc1F
InChIInChI=1S/C15H8BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8H
InChIKeyHOUCPMCBSLOGPC-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.03
Rot. Bonds2

About 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone

1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone (PubChem CID 115784586) has the molecular formula C15H8BrFOS and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone
PubChem CID115784586
Molecular FormulaC15H8BrFOS
Molecular Weight335.20 g/mol
Exact Mass333.95
IUPAC Name1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cc2ccccc2s1)c1cc(Br)ccc1F
InChIInChI=1S/C15H8BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8H
InChIKeyHOUCPMCBSLOGPC-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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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone (CID 115784586) is 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone is O=C(c1cc2ccccc2s1)c1cc(Br)ccc1F.
What is the InChIKey of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone?
The InChIKey is HOUCPMCBSLOGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFOS/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8H.
What are the key properties of 1-benzothiophen-2-yl-(5-bromo-2-fluorophenyl)methanone?
1-benzothiophen-2-yl-(5-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-2-yl-(5-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 115784586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).