2,5-difluoro-1-benzothiophen-4-ol

C8H4F2OS — CID 131098282

IUPAC2,5-difluoro-1-benzothiophen-4-ol
SMILESOc1c(F)ccc2sc(F)cc12
InChIInChI=1S/C8H4F2OS/c9-5-1-2-6-4(8(5)11)3-7(10)12-6/h1-3,11H
InChIKeyMOPCINJDFWFYOJ-UHFFFAOYSA-N
MW186.18 g/mol
LogP2.89
Rot. Bonds

About 2,5-difluoro-1-benzothiophen-4-ol

2,5-difluoro-1-benzothiophen-4-ol (PubChem CID 131098282) has the molecular formula C8H4F2OS and a molecular weight of 186.18 g/mol. Its IUPAC name is 2,5-difluoro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2,5-difluoro-1-benzothiophen-4-ol
PubChem CID131098282
Molecular FormulaC8H4F2OS
Molecular Weight186.18 g/mol
Exact Mass186.00
IUPAC Name2,5-difluoro-1-benzothiophen-4-ol
SMILESOc1c(F)ccc2sc(F)cc12
InChIInChI=1S/C8H4F2OS/c9-5-1-2-6-4(8(5)11)3-7(10)12-6/h1-3,11H
InChIKeyMOPCINJDFWFYOJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
5-bromo-2-fluoro-1-benzothiophen-3-ol
CID 130854964
2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509
2-fluoro-3-hydroxy-1-benzothiophene-5-carboxylic acid
CID 131000489
4-fluoro-2-iodo-1-benzothiophen-5-ol
CID 131000549
4-chloro-2-fluoro-1-benzothiophen-7-ol
CID 130865403
4-hydroxy-2-sulfanyl-1-benzothiophene-5-carbaldehyde
CID 131057233
6-chloro-2-fluoro-1-benzothiophene-4-carboxylic acid
CID 130969858
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
5-chloro-N-(3-chlorophenyl)-3-hydroxy-1-benzothiophene-2-carboxamide
CID 54693832
2-amino-5-chloro-1-benzothiophen-4-ol
CID 130956293

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-1-benzothiophen-4-ol?
The IUPAC name of 2,5-difluoro-1-benzothiophen-4-ol (CID 131098282) is 2,5-difluoro-1-benzothiophen-4-ol.
What is the SMILES notation for 2,5-difluoro-1-benzothiophen-4-ol?
The canonical SMILES for 2,5-difluoro-1-benzothiophen-4-ol is Oc1c(F)ccc2sc(F)cc12.
What is the InChIKey of 2,5-difluoro-1-benzothiophen-4-ol?
The InChIKey is MOPCINJDFWFYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2OS/c9-5-1-2-6-4(8(5)11)3-7(10)12-6/h1-3,11H.
What are the key properties of 2,5-difluoro-1-benzothiophen-4-ol?
2,5-difluoro-1-benzothiophen-4-ol has a molecular weight of 186.18 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-1-benzothiophen-4-ol is sourced from PubChem (CID 131098282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).