5-bromo-2-fluoro-1-benzothiophen-3-ol

C8H4BrFOS — CID 130854964

IUPAC5-bromo-2-fluoro-1-benzothiophen-3-ol
SMILESOc1c(F)sc2ccc(Br)cc12
InChIInChI=1S/C8H4BrFOS/c9-4-1-2-6-5(3-4)7(11)8(10)12-6/h1-3,11H
InChIKeyNEFYHCYGLXUDQN-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.51
Rot. Bonds

About 5-bromo-2-fluoro-1-benzothiophen-3-ol

5-bromo-2-fluoro-1-benzothiophen-3-ol (PubChem CID 130854964) has the molecular formula C8H4BrFOS and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-2-fluoro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-bromo-2-fluoro-1-benzothiophen-3-ol
PubChem CID130854964
Molecular FormulaC8H4BrFOS
Molecular Weight247.09 g/mol
Exact Mass245.92
IUPAC Name5-bromo-2-fluoro-1-benzothiophen-3-ol
SMILESOc1c(F)sc2ccc(Br)cc12
InChIInChI=1S/C8H4BrFOS/c9-4-1-2-6-5(3-4)7(11)8(10)12-6/h1-3,11H
InChIKeyNEFYHCYGLXUDQN-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-hydroxy-1-benzothiophene-5-carboxylic acid
CID 131000489
5,18-dibromo-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004069
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
2,5-difluoro-1-benzothiophen-4-ol
CID 131098282
2-bromo-8-iododibenzothiophene
CID 90306270
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
5-bromo-3-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid
CID 71417901
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
5-bromo-2-sulfanyl-1-benzothiophene-3-carboxylic acid
CID 130901132
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
2,5-dibromo-3-ethyl-1-benzothiophene
CID 131030787
chloromethane;dibenzothiophene;2,8-dibromodibenzothiophene;molecular bromine
CID 157372043

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-1-benzothiophen-3-ol?
The IUPAC name of 5-bromo-2-fluoro-1-benzothiophen-3-ol (CID 130854964) is 5-bromo-2-fluoro-1-benzothiophen-3-ol.
What is the SMILES notation for 5-bromo-2-fluoro-1-benzothiophen-3-ol?
The canonical SMILES for 5-bromo-2-fluoro-1-benzothiophen-3-ol is Oc1c(F)sc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2-fluoro-1-benzothiophen-3-ol?
The InChIKey is NEFYHCYGLXUDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFOS/c9-4-1-2-6-5(3-4)7(11)8(10)12-6/h1-3,11H.
What are the key properties of 5-bromo-2-fluoro-1-benzothiophen-3-ol?
5-bromo-2-fluoro-1-benzothiophen-3-ol has a molecular weight of 247.09 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-1-benzothiophen-3-ol is sourced from PubChem (CID 130854964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).