4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile

C10H6FNOS — CID 23568950

IUPAC4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1ccc(F)c2cc(C#N)sc12
InChIInChI=1S/C10H6FNOS/c1-13-9-3-2-8(11)7-4-6(5-12)14-10(7)9/h2-4H,1H3
InChIKeyMVEKLBRLPBMNCA-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.92
Rot. Bonds1

About 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile

4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile (PubChem CID 23568950) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile
PubChem CID23568950
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1ccc(F)c2cc(C#N)sc12
InChIInChI=1S/C10H6FNOS/c1-13-9-3-2-8(11)7-4-6(5-12)14-10(7)9/h2-4H,1H3
InChIKeyMVEKLBRLPBMNCA-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile?
The IUPAC name of 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile (CID 23568950) is 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile is COc1ccc(F)c2cc(C#N)sc12.
What is the InChIKey of 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile?
The InChIKey is MVEKLBRLPBMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c1-13-9-3-2-8(11)7-4-6(5-12)14-10(7)9/h2-4H,1H3.
What are the key properties of 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile?
4-fluoro-7-methoxy-1-benzothiophene-2-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 4-fluoro-7-methoxy-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 23568950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).