4-chloro-6-fluoro-5-methoxy-1-benzothiophene

C9H6ClFOS — CID 130985220

IUPAC4-chloro-6-fluoro-5-methoxy-1-benzothiophene
SMILESCOc1c(F)cc2sccc2c1Cl
InChIInChI=1S/C9H6ClFOS/c1-12-9-6(11)4-7-5(8(9)10)2-3-13-7/h2-4H,1H3
InChIKeyDQPJMXKJYUURPQ-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.70
Rot. Bonds1

About 4-chloro-6-fluoro-5-methoxy-1-benzothiophene

4-chloro-6-fluoro-5-methoxy-1-benzothiophene (PubChem CID 130985220) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 4-chloro-6-fluoro-5-methoxy-1-benzothiophene.

Molecular Properties

Compound Name4-chloro-6-fluoro-5-methoxy-1-benzothiophene
PubChem CID130985220
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name4-chloro-6-fluoro-5-methoxy-1-benzothiophene
SMILESCOc1c(F)cc2sccc2c1Cl
InChIInChI=1S/C9H6ClFOS/c1-12-9-6(11)4-7-5(8(9)10)2-3-13-7/h2-4H,1H3
InChIKeyDQPJMXKJYUURPQ-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-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130839682
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
4,5,6-trichloro-1-benzothiophene
CID 91440805
4-bromo-5-ethoxy-6-fluoro-1-benzothiophene
CID 130898443
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
6-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 130803998
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
5-bromo-4-chloro-6-methyl-1-benzothiophene
CID 130955248
6-fluoro-5-sulfanyl-1-benzothiophen-4-ol
CID 130854610
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-5-methoxy-1-benzothiophene?
The IUPAC name of 4-chloro-6-fluoro-5-methoxy-1-benzothiophene (CID 130985220) is 4-chloro-6-fluoro-5-methoxy-1-benzothiophene.
What is the SMILES notation for 4-chloro-6-fluoro-5-methoxy-1-benzothiophene?
The canonical SMILES for 4-chloro-6-fluoro-5-methoxy-1-benzothiophene is COc1c(F)cc2sccc2c1Cl.
What is the InChIKey of 4-chloro-6-fluoro-5-methoxy-1-benzothiophene?
The InChIKey is DQPJMXKJYUURPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c1-12-9-6(11)4-7-5(8(9)10)2-3-13-7/h2-4H,1H3.
What are the key properties of 4-chloro-6-fluoro-5-methoxy-1-benzothiophene?
4-chloro-6-fluoro-5-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 4-chloro-6-fluoro-5-methoxy-1-benzothiophene is sourced from PubChem (CID 130985220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).