5-chloro-7-fluoro-3-methoxy-1-benzothiophene

C9H6ClFOS — CID 130866178

IUPAC5-chloro-7-fluoro-3-methoxy-1-benzothiophene
SMILESCOc1csc2c(F)cc(Cl)cc12
InChIInChI=1S/C9H6ClFOS/c1-12-8-4-13-9-6(8)2-5(10)3-7(9)11/h2-4H,1H3
InChIKeyALCCPAXIZDFEKY-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.70
Rot. Bonds1

About 5-chloro-7-fluoro-3-methoxy-1-benzothiophene

5-chloro-7-fluoro-3-methoxy-1-benzothiophene (PubChem CID 130866178) has the molecular formula C9H6ClFOS and a molecular weight of 216.66 g/mol. Its IUPAC name is 5-chloro-7-fluoro-3-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-7-fluoro-3-methoxy-1-benzothiophene
PubChem CID130866178
Molecular FormulaC9H6ClFOS
Molecular Weight216.66 g/mol
Exact Mass215.98
IUPAC Name5-chloro-7-fluoro-3-methoxy-1-benzothiophene
SMILESCOc1csc2c(F)cc(Cl)cc12
InChIInChI=1S/C9H6ClFOS/c1-12-8-4-13-9-6(8)2-5(10)3-7(9)11/h2-4H,1H3
InChIKeyALCCPAXIZDFEKY-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

7-fluoro-3-methoxy-5-methyl-1-benzothiophene
CID 131053876
3,5-dichloro-7-fluoro-1-benzothiophene
CID 130884776
(7-fluoro-3-methoxy-1-benzothiophen-5-yl)methanol
CID 130941198
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
5-chloro-1-fluoro-2-iodo-3-methoxybenzene
CID 170171606
7-chloro-6-fluoro-4-methoxy-1-benzothiophene
CID 130884092
6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
3-ethoxy-7-fluoro-1-benzothiophen-5-ol
CID 131060270
7-bromo-5-iodo-3-methoxy-1-benzothiophene
CID 130926576
5-chloro-3-fluoro-1-benzothiophen-7-ol
CID 130969635
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-3-methoxy-1-benzothiophene?
The IUPAC name of 5-chloro-7-fluoro-3-methoxy-1-benzothiophene (CID 130866178) is 5-chloro-7-fluoro-3-methoxy-1-benzothiophene.
What is the SMILES notation for 5-chloro-7-fluoro-3-methoxy-1-benzothiophene?
The canonical SMILES for 5-chloro-7-fluoro-3-methoxy-1-benzothiophene is COc1csc2c(F)cc(Cl)cc12.
What is the InChIKey of 5-chloro-7-fluoro-3-methoxy-1-benzothiophene?
The InChIKey is ALCCPAXIZDFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFOS/c1-12-8-4-13-9-6(8)2-5(10)3-7(9)11/h2-4H,1H3.
What are the key properties of 5-chloro-7-fluoro-3-methoxy-1-benzothiophene?
5-chloro-7-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 5-chloro-7-fluoro-3-methoxy-1-benzothiophene is sourced from PubChem (CID 130866178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).