(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone

C16H10BrFOS — CID 81142563

IUPAC(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2csc3c(Br)cccc23)cc1F
InChIInChI=1S/C16H10BrFOS/c1-9-5-6-10(7-14(9)18)15(19)12-8-20-16-11(12)3-2-4-13(16)17/h2-8H,1H3
InChIKeyZIPNMKSCRYNHQB-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.34
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone

(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 81142563) has the molecular formula C16H10BrFOS and a molecular weight of 349.22 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID81142563
Molecular FormulaC16H10BrFOS
Molecular Weight349.22 g/mol
Exact Mass347.96
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2csc3c(Br)cccc23)cc1F
InChIInChI=1S/C16H10BrFOS/c1-9-5-6-10(7-14(9)18)15(19)12-8-20-16-11(12)3-2-4-13(16)17/h2-8H,1H3
InChIKeyZIPNMKSCRYNHQB-UHFFFAOYSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanone
CID 81131811
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219795
(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
CID 81142488
(3-amino-2,6-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 81129607
(3-amino-2,5-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 107123742
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
1-(7-bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
(7-bromo-1-benzothiophen-3-yl)-(2,4-diaminophenyl)methanone
CID 81148188
(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
CID 81141972
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone (CID 81142563) is (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2csc3c(Br)cccc23)cc1F.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is ZIPNMKSCRYNHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFOS/c1-9-5-6-10(7-14(9)18)15(19)12-8-20-16-11(12)3-2-4-13(16)17/h2-8H,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone?
(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 349.22 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 81142563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).