3-bromo-6-fluoro-1-benzothiophene

C8H4BrFS — CID 58817610

IUPAC3-bromo-6-fluoro-1-benzothiophene
SMILESFc1ccc2c(Br)csc2c1
InChIInChI=1S/C8H4BrFS/c9-7-4-11-8-3-5(10)1-2-6(7)8/h1-4H
InChIKeyUDBJEIDDEAAXHD-UHFFFAOYSA-N
MW231.09 g/mol
LogP3.80
Rot. Bonds

About 3-bromo-6-fluoro-1-benzothiophene

3-bromo-6-fluoro-1-benzothiophene (PubChem CID 58817610) has the molecular formula C8H4BrFS and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-bromo-6-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-6-fluoro-1-benzothiophene
PubChem CID58817610
Molecular FormulaC8H4BrFS
Molecular Weight231.09 g/mol
Exact Mass229.92
IUPAC Name3-bromo-6-fluoro-1-benzothiophene
SMILESFc1ccc2c(Br)csc2c1
InChIInChI=1S/C8H4BrFS/c9-7-4-11-8-3-5(10)1-2-6(7)8/h1-4H
InChIKeyUDBJEIDDEAAXHD-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882
3-bromo-1-benzothiophene-6-carbonitrile
CID 66729043
4-(6-fluoro-1-benzothiophen-3-yl)piperidine
CID 10105486
O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117196258
cis-(1S,2S)-2-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropan-1-amine
CID 171510308
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178167
1-(6-fluoro-1-benzothiophen-3-yl)cyclopropane-1-carboxylic acid
CID 171510347
5-bromo-3-fluoro-1-benzothiophen-6-ol
CID 130961255
3-bromo-5-iodo-1-benzothiophene-6-thiol
CID 130803823
3-(4-fluorophenyl)-1-benzothiophen-6-ol
CID 22314196
[4-(6-fluoro-1-benzothiophen-3-yl)piperidin-1-yl]-phenylmethanone
CID 67117372
6-fluoro-1-benzothiophene
CID 19088018

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-1-benzothiophene?
The IUPAC name of 3-bromo-6-fluoro-1-benzothiophene (CID 58817610) is 3-bromo-6-fluoro-1-benzothiophene.
What is the SMILES notation for 3-bromo-6-fluoro-1-benzothiophene?
The canonical SMILES for 3-bromo-6-fluoro-1-benzothiophene is Fc1ccc2c(Br)csc2c1.
What is the InChIKey of 3-bromo-6-fluoro-1-benzothiophene?
The InChIKey is UDBJEIDDEAAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFS/c9-7-4-11-8-3-5(10)1-2-6(7)8/h1-4H.
What are the key properties of 3-bromo-6-fluoro-1-benzothiophene?
3-bromo-6-fluoro-1-benzothiophene has a molecular weight of 231.09 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-1-benzothiophene is sourced from PubChem (CID 58817610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).