5-chloro-3-fluoro-1-benzothiophen-7-ol

C8H4ClFOS — CID 130969635

IUPAC5-chloro-3-fluoro-1-benzothiophen-7-ol
SMILESOc1cc(Cl)cc2c(F)csc12
InChIInChI=1S/C8H4ClFOS/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-3,11H
InChIKeyJIHNWGNICUYSTJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.40
Rot. Bonds

About 5-chloro-3-fluoro-1-benzothiophen-7-ol

5-chloro-3-fluoro-1-benzothiophen-7-ol (PubChem CID 130969635) has the molecular formula C8H4ClFOS and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-3-fluoro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name5-chloro-3-fluoro-1-benzothiophen-7-ol
PubChem CID130969635
Molecular FormulaC8H4ClFOS
Molecular Weight202.64 g/mol
Exact Mass201.97
IUPAC Name5-chloro-3-fluoro-1-benzothiophen-7-ol
SMILESOc1cc(Cl)cc2c(F)csc12
InChIInChI=1S/C8H4ClFOS/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-3,11H
InChIKeyJIHNWGNICUYSTJ-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-7-fluoro-1-benzothiophene
CID 130884776
3-fluorothieno[3,4-b]thiophen-6-ol
CID 146521378
5-bromo-3-fluoro-1-benzothiophen-6-ol
CID 130961255
5-chloro-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130805789
5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178
5-chloro-1-benzothiophen-3-ol
CID 14555197
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
2-chloro-4-fluorothiophen-3-ol
CID 71773940
7-bromo-3-fluoro-5-methyl-1-benzothiophene
CID 131169430
5,7-dichloro-3-(difluoromethyl)-1-benzothiophene
CID 131198019
6-(difluoromethyl)-3-fluoro-1-benzothiophen-5-ol
CID 130788372
5-chloro-2-(difluoromethyl)-1-benzothiophen-7-ol
CID 130955547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-1-benzothiophen-7-ol?
The IUPAC name of 5-chloro-3-fluoro-1-benzothiophen-7-ol (CID 130969635) is 5-chloro-3-fluoro-1-benzothiophen-7-ol.
What is the SMILES notation for 5-chloro-3-fluoro-1-benzothiophen-7-ol?
The canonical SMILES for 5-chloro-3-fluoro-1-benzothiophen-7-ol is Oc1cc(Cl)cc2c(F)csc12.
What is the InChIKey of 5-chloro-3-fluoro-1-benzothiophen-7-ol?
The InChIKey is JIHNWGNICUYSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFOS/c9-4-1-5-6(10)3-12-8(5)7(11)2-4/h1-3,11H.
What are the key properties of 5-chloro-3-fluoro-1-benzothiophen-7-ol?
5-chloro-3-fluoro-1-benzothiophen-7-ol has a molecular weight of 202.64 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-1-benzothiophen-7-ol is sourced from PubChem (CID 130969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).