5-chloro-6-ethyl-7-fluoro-1-benzothiophene

C10H8ClFS — CID 130805773

IUPAC5-chloro-6-ethyl-7-fluoro-1-benzothiophene
SMILESCCc1c(Cl)cc2ccsc2c1F
InChIInChI=1S/C10H8ClFS/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5H,2H2,1H3
InChIKeyPARDWHMJAFPYTP-UHFFFAOYSA-N
MW214.69 g/mol
LogP4.26
Rot. Bonds1

About 5-chloro-6-ethyl-7-fluoro-1-benzothiophene

5-chloro-6-ethyl-7-fluoro-1-benzothiophene (PubChem CID 130805773) has the molecular formula C10H8ClFS and a molecular weight of 214.69 g/mol. Its IUPAC name is 5-chloro-6-ethyl-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-6-ethyl-7-fluoro-1-benzothiophene
PubChem CID130805773
Molecular FormulaC10H8ClFS
Molecular Weight214.69 g/mol
Exact Mass214.00
IUPAC Name5-chloro-6-ethyl-7-fluoro-1-benzothiophene
SMILESCCc1c(Cl)cc2ccsc2c1F
InChIInChI=1S/C10H8ClFS/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5H,2H2,1H3
InChIKeyPARDWHMJAFPYTP-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-chloro-6-ethyl-7-fluoro-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

5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene
CID 130840062
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
[6-(chloromethyl)-7-fluoro-1-benzothiophen-5-yl]methanol
CID 130955973
7-chloro-5-methyl-1-benzothiophene
CID 66806727
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
5-ethyl-7-fluoro-1-benzothiophene-6-carbonitrile
CID 131076564
5-chloro-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130956878
5-chloro-6-fluoro-1-benzothiophene-7-carbonitrile
CID 130884091
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-7-fluoro-1-benzothiophene?
The IUPAC name of 5-chloro-6-ethyl-7-fluoro-1-benzothiophene (CID 130805773) is 5-chloro-6-ethyl-7-fluoro-1-benzothiophene.
What is the SMILES notation for 5-chloro-6-ethyl-7-fluoro-1-benzothiophene?
The canonical SMILES for 5-chloro-6-ethyl-7-fluoro-1-benzothiophene is CCc1c(Cl)cc2ccsc2c1F.
What is the InChIKey of 5-chloro-6-ethyl-7-fluoro-1-benzothiophene?
The InChIKey is PARDWHMJAFPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFS/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5H,2H2,1H3.
What are the key properties of 5-chloro-6-ethyl-7-fluoro-1-benzothiophene?
5-chloro-6-ethyl-7-fluoro-1-benzothiophene has a molecular weight of 214.69 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-7-fluoro-1-benzothiophene is sourced from PubChem (CID 130805773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).