7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile

C10H6FNOS — CID 130839755

IUPAC7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
SMILESCOc1ccc2c(C#N)csc2c1F
InChIInChI=1S/C10H6FNOS/c1-13-8-3-2-7-6(4-12)5-14-10(7)9(8)11/h2-3,5H,1H3
InChIKeyDEKNZCYEYLQMIF-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.92
Rot. Bonds1

About 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile

7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile (PubChem CID 130839755) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
PubChem CID130839755
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
SMILESCOc1ccc2c(C#N)csc2c1F
InChIInChI=1S/C10H6FNOS/c1-13-8-3-2-7-6(4-12)5-14-10(7)9(8)11/h2-3,5H,1H3
InChIKeyDEKNZCYEYLQMIF-UHFFFAOYSA-N
XLogP2.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
4-hydroxy-7-methoxy-1-benzothiophene-3-carbonitrile
CID 130805967
5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130803928
4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
CID 159323591
4-methoxy-1-benzothiophene-7-carbonitrile
CID 68709277
7-methylsulfanyl-6-sulfanyl-1-benzothiophene-3-carbonitrile
CID 130970950
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
5-methoxy-6-sulfanyl-1-benzothiophene-3-carbonitrile
CID 130805656
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
The IUPAC name of 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile (CID 130839755) is 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile is COc1ccc2c(C#N)csc2c1F.
What is the InChIKey of 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
The InChIKey is DEKNZCYEYLQMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c1-13-8-3-2-7-6(4-12)5-14-10(7)9(8)11/h2-3,5H,1H3.
What are the key properties of 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile?
7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 130839755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).