2-bromo-5,6-difluoro-1-benzothiophene

C8H3BrF2S — CID 130866221

IUPAC2-bromo-5,6-difluoro-1-benzothiophene
SMILESFc1cc2cc(Br)sc2cc1F
InChIInChI=1S/C8H3BrF2S/c9-8-2-4-1-5(10)6(11)3-7(4)12-8/h1-3H
InChIKeyPANUALUNYKABFD-UHFFFAOYSA-N
MW249.08 g/mol
LogP3.94
Rot. Bonds

About 2-bromo-5,6-difluoro-1-benzothiophene

2-bromo-5,6-difluoro-1-benzothiophene (PubChem CID 130866221) has the molecular formula C8H3BrF2S and a molecular weight of 249.08 g/mol. Its IUPAC name is 2-bromo-5,6-difluoro-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-5,6-difluoro-1-benzothiophene
PubChem CID130866221
Molecular FormulaC8H3BrF2S
Molecular Weight249.08 g/mol
Exact Mass247.91
IUPAC Name2-bromo-5,6-difluoro-1-benzothiophene
SMILESFc1cc2cc(Br)sc2cc1F
InChIInChI=1S/C8H3BrF2S/c9-8-2-4-1-5(10)6(11)3-7(4)12-8/h1-3H
InChIKeyPANUALUNYKABFD-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromothieno[3,2-f][1]benzothiole
CID 91659146
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
6,16-dibromo-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 118311416
(2,6-dibromo-1-benzothiophen-5-yl)methanol
CID 130785805
2-bromo-6-(bromomethyl)-1-benzothiophene-5-thiol
CID 131059826
bis(2-bromo-1-benzothiophen-5-yl)silane
CID 137330752
methyl 5,6-difluoro-1-benzothiophene-2-carboxylate
CID 165347141
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
2-(2-bromothieno[2,3-f][1]benzothiol-6-yl)acetonitrile;ethane
CID 144672130
2,3,9,10-tetrafluoropentacene
CID 57380949
2-bromo-5-chloro-6-ethoxy-1-benzothiophene
CID 131053420
2-(2-bromo-6-sulfanyl-1-benzothiophen-5-yl)acetonitrile
CID 131218608

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-difluoro-1-benzothiophene?
The IUPAC name of 2-bromo-5,6-difluoro-1-benzothiophene (CID 130866221) is 2-bromo-5,6-difluoro-1-benzothiophene.
What is the SMILES notation for 2-bromo-5,6-difluoro-1-benzothiophene?
The canonical SMILES for 2-bromo-5,6-difluoro-1-benzothiophene is Fc1cc2cc(Br)sc2cc1F.
What is the InChIKey of 2-bromo-5,6-difluoro-1-benzothiophene?
The InChIKey is PANUALUNYKABFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2S/c9-8-2-4-1-5(10)6(11)3-7(4)12-8/h1-3H.
What are the key properties of 2-bromo-5,6-difluoro-1-benzothiophene?
2-bromo-5,6-difluoro-1-benzothiophene has a molecular weight of 249.08 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-difluoro-1-benzothiophene is sourced from PubChem (CID 130866221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).