5-bromo-2-fluoro-6-methyl-1-benzothiophene

C9H6BrFS — CID 131075792

IUPAC5-bromo-2-fluoro-6-methyl-1-benzothiophene
SMILESCc1cc2sc(F)cc2cc1Br
InChIInChI=1S/C9H6BrFS/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4H,1H3
InChIKeyWCNOTRYQIHSVIK-UHFFFAOYSA-N
MW245.12 g/mol
LogP4.11
Rot. Bonds

About 5-bromo-2-fluoro-6-methyl-1-benzothiophene

5-bromo-2-fluoro-6-methyl-1-benzothiophene (PubChem CID 131075792) has the molecular formula C9H6BrFS and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-2-fluoro-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-2-fluoro-6-methyl-1-benzothiophene
PubChem CID131075792
Molecular FormulaC9H6BrFS
Molecular Weight245.12 g/mol
Exact Mass243.94
IUPAC Name5-bromo-2-fluoro-6-methyl-1-benzothiophene
SMILESCc1cc2sc(F)cc2cc1Br
InChIInChI=1S/C9H6BrFS/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4H,1H3
InChIKeyWCNOTRYQIHSVIK-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-methyl-1-benzothiophene-5-carboxylic acid
CID 130839072
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
methyl 4-(5-bromo-6-methyl-1-benzothiophen-2-yl)-4-oxobutanoate
CID 139531530
2,6-difluoro-5-methylsulfanyl-1-benzothiophene
CID 130969665
5-fluoro-2-methylthieno[3,2-b]thiophene
CID 129149078
2-bromo-6-fluoro-3-methylanthracene;ethane
CID 159320278
(3S)-1-(6-bromo-5-methyl-1-benzothiophen-2-yl)-4-hydroxy-3-methylbutan-1-one
CID 134417107
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
2-bromo-5,6-difluoro-1-benzothiophene
CID 130866221
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
3,6-dibromo-4,7-dimethylthiochromen-2-one
CID 15647386
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-6-methyl-1-benzothiophene?
The IUPAC name of 5-bromo-2-fluoro-6-methyl-1-benzothiophene (CID 131075792) is 5-bromo-2-fluoro-6-methyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-2-fluoro-6-methyl-1-benzothiophene?
The canonical SMILES for 5-bromo-2-fluoro-6-methyl-1-benzothiophene is Cc1cc2sc(F)cc2cc1Br.
What is the InChIKey of 5-bromo-2-fluoro-6-methyl-1-benzothiophene?
The InChIKey is WCNOTRYQIHSVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFS/c1-5-2-8-6(3-7(5)10)4-9(11)12-8/h2-4H,1H3.
What are the key properties of 5-bromo-2-fluoro-6-methyl-1-benzothiophene?
5-bromo-2-fluoro-6-methyl-1-benzothiophene has a molecular weight of 245.12 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-6-methyl-1-benzothiophene is sourced from PubChem (CID 131075792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).