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

C10H8ClFOS — CID 130826535

IUPAC6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
SMILESCCOc1c(Cl)cc(F)c2ccsc12
InChIInChI=1S/C10H8ClFOS/c1-2-13-9-7(11)5-8(12)6-3-4-14-10(6)9/h3-5H,2H2,1H3
InChIKeyGMELREMQOPJRNR-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.09
Rot. Bonds2

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

6-chloro-7-ethoxy-4-fluoro-1-benzothiophene (PubChem CID 130826535) has the molecular formula C10H8ClFOS and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
PubChem CID130826535
Molecular FormulaC10H8ClFOS
Molecular Weight230.69 g/mol
Exact Mass230.00
IUPAC Name6-chloro-7-ethoxy-4-fluoro-1-benzothiophene
SMILESCCOc1c(Cl)cc(F)c2ccsc12
InChIInChI=1S/C10H8ClFOS/c1-2-13-9-7(11)5-8(12)6-3-4-14-10(6)9/h3-5H,2H2,1H3
InChIKeyGMELREMQOPJRNR-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.09
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-bromo-5-ethoxy-6-fluoro-1-benzothiophene
CID 130898443
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
4,5-dichloro-7-fluoro-1-benzothiophene
CID 131053718
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
4-chloro-7-ethoxy-1-benzothiophene-5-thiol
CID 131096748
3-chloro-4-ethoxy-5-fluorobenzoic acid
CID 46737656
5-azido-1-chloro-2-ethoxy-3-fluorobenzene
CID 151137771
6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene?
The IUPAC name of 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene (CID 130826535) is 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene.
What is the SMILES notation for 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene?
The canonical SMILES for 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene is CCOc1c(Cl)cc(F)c2ccsc12.
What is the InChIKey of 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene?
The InChIKey is GMELREMQOPJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFOS/c1-2-13-9-7(11)5-8(12)6-3-4-14-10(6)9/h3-5H,2H2,1H3.
What are the key properties of 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene?
6-chloro-7-ethoxy-4-fluoro-1-benzothiophene has a molecular weight of 230.69 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-ethoxy-4-fluoro-1-benzothiophene is sourced from PubChem (CID 130826535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).