7-ethyl-2-fluoro-5-methoxy-1-benzothiophene

C11H11FOS — CID 131097093

IUPAC7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
SMILESCCc1cc(OC)cc2cc(F)sc12
InChIInChI=1S/C11H11FOS/c1-3-7-4-9(13-2)5-8-6-10(12)14-11(7)8/h4-6H,3H2,1-2H3
InChIKeyBSACJXYZKHJZME-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.61
Rot. Bonds2

About 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene

7-ethyl-2-fluoro-5-methoxy-1-benzothiophene (PubChem CID 131097093) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
PubChem CID131097093
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
SMILESCCc1cc(OC)cc2cc(F)sc12
InChIInChI=1S/C11H11FOS/c1-3-7-4-9(13-2)5-8-6-10(12)14-11(7)8/h4-6H,3H2,1-2H3
InChIKeyBSACJXYZKHJZME-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(chloromethyl)-2-fluoro-5-methoxy-1-benzothiophene
CID 131146133
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
7-ethyl-5-methoxy-1H-indole
CID 162427536
3-ethyl-2-fluoro-5-methoxybenzoic acid
CID 123425084
2-ethyl-5-methoxy-1-benzothiophene-7-thiol
CID 131057574
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
4-ethyl-6-methoxy-3-methyl-1-benzothiophene
CID 130985915
4-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131195859
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207
7-fluoro-2-(4-hexylphenyl)-5-methoxy-1-benzothiophene
CID 22450973
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
3-ethyl-5-methoxy-2-methylaniline
CID 131487769

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene?
The IUPAC name of 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene (CID 131097093) is 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene.
What is the SMILES notation for 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene?
The canonical SMILES for 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene is CCc1cc(OC)cc2cc(F)sc12.
What is the InChIKey of 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene?
The InChIKey is BSACJXYZKHJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-3-7-4-9(13-2)5-8-6-10(12)14-11(7)8/h4-6H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene?
7-ethyl-2-fluoro-5-methoxy-1-benzothiophene has a molecular weight of 210.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-fluoro-5-methoxy-1-benzothiophene is sourced from PubChem (CID 131097093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).