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

C9H6ClFOS — CID 130884092

IUPAC7-chloro-6-fluoro-4-methoxy-1-benzothiophene
SMILESCOc1cc(F)c(Cl)c2sccc12
InChIInChI=1S/C9H6ClFOS/c1-12-7-4-6(11)8(10)9-5(7)2-3-13-9/h2-4H,1H3
InChIKeyMXQXLCGHSDOSIK-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.70
Rot. Bonds1

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

7-chloro-6-fluoro-4-methoxy-1-benzothiophene (PubChem CID 130884092) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-methoxy-1-benzothiophene
PubChem CID130884092
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name7-chloro-6-fluoro-4-methoxy-1-benzothiophene
SMILESCOc1cc(F)c(Cl)c2sccc12
InChIInChI=1S/C9H6ClFOS/c1-12-7-4-6(11)8(10)9-5(7)2-3-13-9/h2-4H,1H3
InChIKeyMXQXLCGHSDOSIK-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-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
4,7-dimethoxy-1-benzothiophene
CID 11095506
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
4-fluoro-5-methoxy-7-methyl-1-benzothiophene
CID 130925600
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571
4-methoxy-1-benzothiophen-7-ol
CID 119095255
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
5-chloro-7-fluoro-3-methoxy-1-benzothiophene
CID 130866178

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-methoxy-1-benzothiophene?
The IUPAC name of 7-chloro-6-fluoro-4-methoxy-1-benzothiophene (CID 130884092) is 7-chloro-6-fluoro-4-methoxy-1-benzothiophene.
What is the SMILES notation for 7-chloro-6-fluoro-4-methoxy-1-benzothiophene?
The canonical SMILES for 7-chloro-6-fluoro-4-methoxy-1-benzothiophene is COc1cc(F)c(Cl)c2sccc12.
What is the InChIKey of 7-chloro-6-fluoro-4-methoxy-1-benzothiophene?
The InChIKey is MXQXLCGHSDOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c1-12-7-4-6(11)8(10)9-5(7)2-3-13-9/h2-4H,1H3.
What are the key properties of 7-chloro-6-fluoro-4-methoxy-1-benzothiophene?
7-chloro-6-fluoro-4-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 7-chloro-6-fluoro-4-methoxy-1-benzothiophene is sourced from PubChem (CID 130884092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).