7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile

C10H6FNOS — CID 130839085

IUPAC7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2cc(CO)sc2c1F
InChIInChI=1S/C10H6FNOS/c11-9-7(4-12)2-1-6-3-8(5-13)14-10(6)9/h1-3,13H,5H2
InChIKeyOQQWEOWQQVWGKU-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.40
Rot. Bonds1

About 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile

7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile (PubChem CID 130839085) has the molecular formula C10H6FNOS and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile
PubChem CID130839085
Molecular FormulaC10H6FNOS
Molecular Weight207.23 g/mol
Exact Mass207.02
IUPAC Name7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2cc(CO)sc2c1F
InChIInChI=1S/C10H6FNOS/c11-9-7(4-12)2-1-6-3-8(5-13)14-10(6)9/h1-3,13H,5H2
InChIKeyOQQWEOWQQVWGKU-UHFFFAOYSA-N
XLogP2.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile?
The IUPAC name of 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile (CID 130839085) is 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile is N#Cc1ccc2cc(CO)sc2c1F.
What is the InChIKey of 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile?
The InChIKey is OQQWEOWQQVWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNOS/c11-9-7(4-12)2-1-6-3-8(5-13)14-10(6)9/h1-3,13H,5H2.
What are the key properties of 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile?
7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(hydroxymethyl)-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 130839085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).