4-chloro-2-fluoro-1-benzothiophen-7-ol

C8H4ClFOS — CID 130865403

IUPAC4-chloro-2-fluoro-1-benzothiophen-7-ol
SMILESOc1ccc(Cl)c2cc(F)sc12
InChIInChI=1S/C8H4ClFOS/c9-5-1-2-6(11)8-4(5)3-7(10)12-8/h1-3,11H
InChIKeyPVKIDTOUHOEJKX-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.40
Rot. Bonds

About 4-chloro-2-fluoro-1-benzothiophen-7-ol

4-chloro-2-fluoro-1-benzothiophen-7-ol (PubChem CID 130865403) has the molecular formula C8H4ClFOS and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1-benzothiophen-7-ol.

Molecular Properties

Compound Name4-chloro-2-fluoro-1-benzothiophen-7-ol
PubChem CID130865403
Molecular FormulaC8H4ClFOS
Molecular Weight202.64 g/mol
Exact Mass201.97
IUPAC Name4-chloro-2-fluoro-1-benzothiophen-7-ol
SMILESOc1ccc(Cl)c2cc(F)sc12
InChIInChI=1S/C8H4ClFOS/c9-5-1-2-6(11)8-4(5)3-7(10)12-8/h1-3,11H
InChIKeyPVKIDTOUHOEJKX-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

4-chloro-2-fluoro-1-benzothiophene-7-carbaldehyde
CID 131030879
4-chloro-7-fluoro-1-benzothiophen-2-ol
CID 130805629
7-chloro-2-fluoro-4-methyl-1-benzothiophene
CID 131169637
2-fluoro-7-methylsulfanyl-1-benzothiophen-4-ol
CID 130942183
9-chlorodibenzothiophen-4-ol
CID 166591681
7-bromo-2-fluoro-1-benzothiophen-6-ol
CID 130854965
6-chloro-2-fluoro-1-benzothiophene-7-carboxylic acid
CID 130898358
2,3-dichloro-5-fluorothiophene
CID 129040028
2,5-difluoro-1-benzothiophen-4-ol
CID 131098282
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
4-chloro-7-methylsulfanyl-1-benzothiophene-2-thiol
CID 130956480
2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
CID 130914398

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-1-benzothiophen-7-ol?
The IUPAC name of 4-chloro-2-fluoro-1-benzothiophen-7-ol (CID 130865403) is 4-chloro-2-fluoro-1-benzothiophen-7-ol.
What is the SMILES notation for 4-chloro-2-fluoro-1-benzothiophen-7-ol?
The canonical SMILES for 4-chloro-2-fluoro-1-benzothiophen-7-ol is Oc1ccc(Cl)c2cc(F)sc12.
What is the InChIKey of 4-chloro-2-fluoro-1-benzothiophen-7-ol?
The InChIKey is PVKIDTOUHOEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFOS/c9-5-1-2-6(11)8-4(5)3-7(10)12-8/h1-3,11H.
What are the key properties of 4-chloro-2-fluoro-1-benzothiophen-7-ol?
4-chloro-2-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 4-chloro-2-fluoro-1-benzothiophen-7-ol is sourced from PubChem (CID 130865403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).