7-bromo-4-fluoro-1-benzothiophen-3-one

C8H4BrFOS — CID 134860618

IUPAC7-bromo-4-fluoro-1-benzothiophen-3-one
SMILESO=C1CSc2c(Br)ccc(F)c21
InChIInChI=1S/C8H4BrFOS/c9-4-1-2-5(10)7-6(11)3-12-8(4)7/h1-2H,3H2
InChIKeyCOUZDUSMGRTOAX-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.88
Rot. Bonds

About 7-bromo-4-fluoro-1-benzothiophen-3-one

7-bromo-4-fluoro-1-benzothiophen-3-one (PubChem CID 134860618) has the molecular formula C8H4BrFOS and a molecular weight of 247.09 g/mol. Its IUPAC name is 7-bromo-4-fluoro-1-benzothiophen-3-one.

Molecular Properties

Compound Name7-bromo-4-fluoro-1-benzothiophen-3-one
PubChem CID134860618
Molecular FormulaC8H4BrFOS
Molecular Weight247.09 g/mol
Exact Mass245.92
IUPAC Name7-bromo-4-fluoro-1-benzothiophen-3-one
SMILESO=C1CSc2c(Br)ccc(F)c21
InChIInChI=1S/C8H4BrFOS/c9-4-1-2-5(10)7-6(11)3-12-8(4)7/h1-2H,3H2
InChIKeyCOUZDUSMGRTOAX-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2,3-dihydro-1-benzothiophen-3-one
CID 10799399
(2Z)-7-bromo-2-[(4-fluorophenyl)methylidene]-1-benzothiophen-3-one
CID 155813887
(2Z)-7-bromo-4-fluoro-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzothiophen-3-one
CID 122206818
1-(3-Bromo-4-fluorophenyl)-2-phenylsulfanylpent-4-en-1-one
CID 134958563
1-[3-Bromo-2-(t-butylthio)phenyl]-2,2,2-trifluoroethanone
CID 172432354
6-bromobenzo[b]thiophen-3(2H)-one
CID 58731164
7-bromo-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzothiophen-3(2H)-one
CID 67186528
(2Z)-7-bromo-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzothiophen-3-one
CID 67186952
6-Bromo-5-fluorobenzo[b]thiophene-2,3-dione
CID 67983799
(3-Bromo-4-fluorophenyl)-thiophen-3-ylmethanone
CID 79735846
1-(7-Bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
7-fluorobenzo[b]thiophen-3(2H)-one
CID 83905662

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-1-benzothiophen-3-one?
The IUPAC name of 7-bromo-4-fluoro-1-benzothiophen-3-one (CID 134860618) is 7-bromo-4-fluoro-1-benzothiophen-3-one.
What is the SMILES notation for 7-bromo-4-fluoro-1-benzothiophen-3-one?
The canonical SMILES for 7-bromo-4-fluoro-1-benzothiophen-3-one is O=C1CSc2c(Br)ccc(F)c21.
What is the InChIKey of 7-bromo-4-fluoro-1-benzothiophen-3-one?
The InChIKey is COUZDUSMGRTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFOS/c9-4-1-2-5(10)7-6(11)3-12-8(4)7/h1-2H,3H2.
What are the key properties of 7-bromo-4-fluoro-1-benzothiophen-3-one?
7-bromo-4-fluoro-1-benzothiophen-3-one has a molecular weight of 247.09 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-1-benzothiophen-3-one is sourced from PubChem (CID 134860618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).