7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile

C10H6FNS — CID 131054009

IUPAC7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile
SMILESCc1cc(C#N)c(F)c2sccc12
InChIInChI=1S/C10H6FNS/c1-6-4-7(5-12)9(11)10-8(6)2-3-13-10/h2-4H,1H3
InChIKeyKAGLNMUGZBZSFQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.22
Rot. Bonds

About 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile

7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile (PubChem CID 131054009) has the molecular formula C10H6FNS and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile
PubChem CID131054009
Molecular FormulaC10H6FNS
Molecular Weight191.23 g/mol
Exact Mass191.02
IUPAC Name7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile
SMILESCc1cc(C#N)c(F)c2sccc12
InChIInChI=1S/C10H6FNS/c1-6-4-7(5-12)9(11)10-8(6)2-3-13-10/h2-4H,1H3
InChIKeyKAGLNMUGZBZSFQ-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-fluoro-6-methyl-1-benzothiophene-4-carbonitrile
CID 131215711
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
7-methyl-1-benzothiophene-4-carbonitrile
CID 129152036
6-fluoro-4-methyl-1-benzothiophen-7-ol
CID 130942182
2-(4-methyl-6-sulfanyl-1-benzothiophen-7-yl)acetonitrile
CID 130900275
7-fluoro-4-sulfanyl-1-benzothiophene-5-carbonitrile
CID 130803763
4,19-dimethyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606200
7-fluoro-4-methyl-1-benzothiophene
CID 66644704
7-amino-6-bromo-1-benzothiophene-4-carbonitrile
CID 130803419
4-methylsulfanyl-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130970953
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213
2-methylthiophene-3-carbonitrile
CID 12565787

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile?
The IUPAC name of 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile (CID 131054009) is 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile is Cc1cc(C#N)c(F)c2sccc12.
What is the InChIKey of 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile?
The InChIKey is KAGLNMUGZBZSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNS/c1-6-4-7(5-12)9(11)10-8(6)2-3-13-10/h2-4H,1H3.
What are the key properties of 7-fluoro-4-methyl-1-benzothiophene-6-carbonitrile?
7-fluoro-4-methyl-1-benzothiophene-6-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-4-methyl-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 131054009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).