6-chloro-2-fluoro-3-methoxy-1-benzothiophene

C9H6ClFOS — CID 130792276

IUPAC6-chloro-2-fluoro-3-methoxy-1-benzothiophene
SMILESCOc1c(F)sc2cc(Cl)ccc12
InChIInChI=1S/C9H6ClFOS/c1-12-8-6-3-2-5(10)4-7(6)13-9(8)11/h2-4H,1H3
InChIKeyAFMMQEKVAQRSCR-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.70
Rot. Bonds1

About 6-chloro-2-fluoro-3-methoxy-1-benzothiophene

6-chloro-2-fluoro-3-methoxy-1-benzothiophene (PubChem CID 130792276) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-1-benzothiophene
PubChem CID130792276
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name6-chloro-2-fluoro-3-methoxy-1-benzothiophene
SMILESCOc1c(F)sc2cc(Cl)ccc12
InChIInChI=1S/C9H6ClFOS/c1-12-8-6-3-2-5(10)4-7(6)13-9(8)11/h2-4H,1H3
InChIKeyAFMMQEKVAQRSCR-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

Analyze 6-chloro-2-fluoro-3-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

6-chloro-3-methoxy-1-benzothiophene-2-thiol
CID 130870490
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
6-chloro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 53014216
2,7-dichloro-[1]benzothiolo[3,2-b][1]benzothiole
CID 12549782
6-chloro-N-[(4-fluorophenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846058
6-chloro-3-(2,4,5-trifluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylate
CID 168781003
azanium 6-chloro-3-(2,4,5-trifluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylate
CID 168780958
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
7-chloro-2,4-difluorodibenzothiophene
CID 156704591
5-fluoro-4-methoxy-1-benzothiophen-2-amine
CID 131075976
3,6-dichloro-2-methyl-1-benzothiophene;ethane
CID 144669158

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxy-1-benzothiophene?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-1-benzothiophene (CID 130792276) is 6-chloro-2-fluoro-3-methoxy-1-benzothiophene.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-1-benzothiophene?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-1-benzothiophene is COc1c(F)sc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-1-benzothiophene?
The InChIKey is AFMMQEKVAQRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c1-12-8-6-3-2-5(10)4-7(6)13-9(8)11/h2-4H,1H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-1-benzothiophene?
6-chloro-2-fluoro-3-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 6-chloro-2-fluoro-3-methoxy-1-benzothiophene is sourced from PubChem (CID 130792276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).