7-bromo-3-fluoro-5-methyl-1-benzothiophene

C9H6BrFS — CID 131169430

IUPAC7-bromo-3-fluoro-5-methyl-1-benzothiophene
SMILESCc1cc(Br)c2scc(F)c2c1
InChIInChI=1S/C9H6BrFS/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-4H,1H3
InChIKeyLLRQLFAHKJAOJZ-UHFFFAOYSA-N
MW245.12 g/mol
LogP4.11
Rot. Bonds

About 7-bromo-3-fluoro-5-methyl-1-benzothiophene

7-bromo-3-fluoro-5-methyl-1-benzothiophene (PubChem CID 131169430) has the molecular formula C9H6BrFS and a molecular weight of 245.12 g/mol. Its IUPAC name is 7-bromo-3-fluoro-5-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-fluoro-5-methyl-1-benzothiophene
PubChem CID131169430
Molecular FormulaC9H6BrFS
Molecular Weight245.12 g/mol
Exact Mass243.94
IUPAC Name7-bromo-3-fluoro-5-methyl-1-benzothiophene
SMILESCc1cc(Br)c2scc(F)c2c1
InChIInChI=1S/C9H6BrFS/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-4H,1H3
InChIKeyLLRQLFAHKJAOJZ-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

5-bromo-7-ethyl-3-fluoro-1-benzothiophene
CID 130926140
7-fluoro-3-methoxy-5-methyl-1-benzothiophene
CID 131053876
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
5-bromo-7-ethoxy-3-fluoro-1-benzothiophene
CID 131033808
2-(7-fluoro-5-methyl-1-benzothiophen-3-yl)ethanamine
CID 130050695
5-(bromomethyl)-3-fluoro-7-methoxy-1-benzothiophene
CID 130878487
7-bromo-3-[bromo-(2-fluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 81147736
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
5-bromo-3-fluoro-1-benzothiophen-6-ol
CID 130961255
5-chloro-3-fluoro-1-benzothiophen-7-ol
CID 130969635
1-bromo-2-(bromomethyl)-3-fluoro-5-methylbenzene
CID 131118036
7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
CID 130870265

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-fluoro-5-methyl-1-benzothiophene?
The IUPAC name of 7-bromo-3-fluoro-5-methyl-1-benzothiophene (CID 131169430) is 7-bromo-3-fluoro-5-methyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-fluoro-5-methyl-1-benzothiophene?
The canonical SMILES for 7-bromo-3-fluoro-5-methyl-1-benzothiophene is Cc1cc(Br)c2scc(F)c2c1.
What is the InChIKey of 7-bromo-3-fluoro-5-methyl-1-benzothiophene?
The InChIKey is LLRQLFAHKJAOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFS/c1-5-2-6-8(11)4-12-9(6)7(10)3-5/h2-4H,1H3.
What are the key properties of 7-bromo-3-fluoro-5-methyl-1-benzothiophene?
7-bromo-3-fluoro-5-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 7-bromo-3-fluoro-5-methyl-1-benzothiophene is sourced from PubChem (CID 131169430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).