2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile

C11H8FNS — CID 131030952

IUPAC2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile
SMILESCc1cc2cc(CC#N)sc2cc1F
InChIInChI=1S/C11H8FNS/c1-7-4-8-5-9(2-3-13)14-11(8)6-10(7)12/h4-6H,2H2,1H3
InChIKeyMNJTXDYNXFFLNU-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.41
Rot. Bonds1

About 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile

2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile (PubChem CID 131030952) has the molecular formula C11H8FNS and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile
PubChem CID131030952
Molecular FormulaC11H8FNS
Molecular Weight205.26 g/mol
Exact Mass205.04
IUPAC Name2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile
SMILESCc1cc2cc(CC#N)sc2cc1F
InChIInChI=1S/C11H8FNS/c1-7-4-8-5-9(2-3-13)14-11(8)6-10(7)12/h4-6H,2H2,1H3
InChIKeyMNJTXDYNXFFLNU-UHFFFAOYSA-N
XLogP3.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromothieno[2,3-f][1]benzothiol-6-yl)acetonitrile;ethane
CID 144672130
2-(5-chloro-1-benzothiophen-2-yl)acetonitrile
CID 15155567
2-(5-chloro-4-methylthiophen-2-yl)acetonitrile
CID 22095125
2-(bromomethyl)-5-methyl-1-benzothiophene-6-carbonitrile
CID 131034293
2-(4-iodo-5-methyl-1-benzothiophen-2-yl)acetonitrile
CID 130857335
2-(chloromethyl)-5,6-dimethyl-1-benzothiophene
CID 130866193
2-(5-fluoro-7-sulfanyl-1-benzothiophen-2-yl)acetonitrile
CID 131096291
2-(2-bromo-5-fluoro-4-methylphenyl)acetonitrile
CID 131628332
5,6-difluoro-2-methyl-1-benzothiophene
CID 131029418
2-(5-amino-2-methyl-1-benzothiophen-6-yl)acetonitrile
CID 131034378
2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile
CID 142725184
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile?
The IUPAC name of 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile (CID 131030952) is 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile?
The canonical SMILES for 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile is Cc1cc2cc(CC#N)sc2cc1F.
What is the InChIKey of 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile?
The InChIKey is MNJTXDYNXFFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNS/c1-7-4-8-5-9(2-3-13)14-11(8)6-10(7)12/h4-6H,2H2,1H3.
What are the key properties of 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile?
2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile has a molecular weight of 205.26 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile is sourced from PubChem (CID 131030952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).