2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile

C10H7FN2S — CID 130820910

IUPAC2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile
SMILESN#CCc1cc(F)cc2scc(N)c12
InChIInChI=1S/C10H7FN2S/c11-7-3-6(1-2-12)10-8(13)5-14-9(10)4-7/h3-5H,1,13H2
InChIKeyVENZRUUCUOTIQQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.69
Rot. Bonds1

About 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile

2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile (PubChem CID 130820910) has the molecular formula C10H7FN2S and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile
PubChem CID130820910
Molecular FormulaC10H7FN2S
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile
SMILESN#CCc1cc(F)cc2scc(N)c12
InChIInChI=1S/C10H7FN2S/c11-7-3-6(1-2-12)10-8(13)5-14-9(10)4-7/h3-5H,1,13H2
InChIKeyVENZRUUCUOTIQQ-UHFFFAOYSA-N
XLogP2.69
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-fluoro-1-benzothiophene-4-thiol
CID 130816478
3-amino-6-fluoro-1-benzothiophen-4-ol
CID 130956346
2-(3-amino-4-methyl-1-benzothiophen-7-yl)acetonitrile
CID 130855181
3-(cyanomethyl)-5-fluoro-2-hydroxybenzonitrile
CID 131536390
2-(3-bromo-5-fluoro-1-benzothiophen-7-yl)acetonitrile
CID 130803640
2-(3-amino-5-hydroxy-1-benzothiophen-4-yl)acetonitrile
CID 131060134
2-(3-amino-5-bromo-1-benzothiophen-4-yl)acetonitrile
CID 130884967
3,6-diamino-1-benzothiophene-4-carbonitrile
CID 131169584
2-(3-amino-5-chloro-2-fluorophenyl)acetonitrile
CID 131518600
2-(5,6-dimethyl-1-benzothiophen-3-yl)acetonitrile
CID 131053362
2-[5-fluoro-3-methyl-2-(trifluoromethyl)phenyl]acetonitrile
CID 171020418
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile?
The IUPAC name of 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile (CID 130820910) is 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile?
The canonical SMILES for 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile is N#CCc1cc(F)cc2scc(N)c12.
What is the InChIKey of 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile?
The InChIKey is VENZRUUCUOTIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S/c11-7-3-6(1-2-12)10-8(13)5-14-9(10)4-7/h3-5H,1,13H2.
What are the key properties of 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile?
2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile has a molecular weight of 206.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-fluoro-1-benzothiophen-4-yl)acetonitrile is sourced from PubChem (CID 130820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).