6-chloro-4-fluoro-7-methoxy-1-benzothiophene

C9H6ClFOS — CID 130866206

IUPAC6-chloro-4-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1c(Cl)cc(F)c2ccsc12
InChIInChI=1S/C9H6ClFOS/c1-12-8-6(10)4-7(11)5-2-3-13-9(5)8/h2-4H,1H3
InChIKeySPIWWYJBNKRBLQ-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.70
Rot. Bonds1

About 6-chloro-4-fluoro-7-methoxy-1-benzothiophene

6-chloro-4-fluoro-7-methoxy-1-benzothiophene (PubChem CID 130866206) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 6-chloro-4-fluoro-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-4-fluoro-7-methoxy-1-benzothiophene
PubChem CID130866206
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name6-chloro-4-fluoro-7-methoxy-1-benzothiophene
SMILESCOc1c(Cl)cc(F)c2ccsc12
InChIInChI=1S/C9H6ClFOS/c1-12-8-6(10)4-7(11)5-2-3-13-9(5)8/h2-4H,1H3
InChIKeySPIWWYJBNKRBLQ-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
CID 130826535
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
5-chloro-4-methoxy-1-benzothiophen-7-amine
CID 130823667
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
CID 130941216

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-7-methoxy-1-benzothiophene?
The IUPAC name of 6-chloro-4-fluoro-7-methoxy-1-benzothiophene (CID 130866206) is 6-chloro-4-fluoro-7-methoxy-1-benzothiophene.
What is the SMILES notation for 6-chloro-4-fluoro-7-methoxy-1-benzothiophene?
The canonical SMILES for 6-chloro-4-fluoro-7-methoxy-1-benzothiophene is COc1c(Cl)cc(F)c2ccsc12.
What is the InChIKey of 6-chloro-4-fluoro-7-methoxy-1-benzothiophene?
The InChIKey is SPIWWYJBNKRBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c1-12-8-6(10)4-7(11)5-2-3-13-9(5)8/h2-4H,1H3.
What are the key properties of 6-chloro-4-fluoro-7-methoxy-1-benzothiophene?
6-chloro-4-fluoro-7-methoxy-1-benzothiophene has a molecular weight of 216.66 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-7-methoxy-1-benzothiophene is sourced from PubChem (CID 130866206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).