7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile

C10H6FNS — CID 131053554

IUPAC7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile
SMILESCc1ccc2cc(C#N)sc2c1F
InChIInChI=1S/C10H6FNS/c1-6-2-3-7-4-8(5-12)13-10(7)9(6)11/h2-4H,1H3
InChIKeyLGBNTJHXACNHCF-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.22
Rot. Bonds

About 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile

7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile (PubChem CID 131053554) has the molecular formula C10H6FNS and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile
PubChem CID131053554
Molecular FormulaC10H6FNS
Molecular Weight191.23 g/mol
Exact Mass191.02
IUPAC Name7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile
SMILESCc1ccc2cc(C#N)sc2c1F
InChIInChI=1S/C10H6FNS/c1-6-2-3-7-4-8(5-12)13-10(7)9(6)11/h2-4H,1H3
InChIKeyLGBNTJHXACNHCF-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbonitrile
CID 131030778
6-fluoro-7-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130885101
6,7-dihydroxy-1-benzothiophene-2-carbonitrile
CID 131138269
5-iodo-7-methyl-1-benzothiophene-2-carbonitrile
CID 131080419
7-fluoro-6-methyl-1-benzothiophene-2-carboxylic acid
CID 121413599
7-amino-5-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130866432
5-methyl-4-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 131033966
7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile
CID 130926562
4,6-difluoro-3,7-dimethyldibenzothiophene;ethane
CID 158727603
7-fluoro-6-methyl-1-benzothiophene-4-carbonitrile
CID 131215711
5-hydroxy-7-methoxy-1-benzothiophene-2-carbonitrile
CID 130792278
6-bromo-2-fluoro-1-benzothiophene-7-carbonitrile
CID 130914349

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile?
The IUPAC name of 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile (CID 131053554) is 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile is Cc1ccc2cc(C#N)sc2c1F.
What is the InChIKey of 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile?
The InChIKey is LGBNTJHXACNHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNS/c1-6-2-3-7-4-8(5-12)13-10(7)9(6)11/h2-4H,1H3.
What are the key properties of 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile?
7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 131053554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).