2-(4-fluoro-1-benzothiophen-5-yl)ethanamine

C10H10FNS — CID 82374652

IUPAC2-(4-fluoro-1-benzothiophen-5-yl)ethanamine
SMILESNCCc1ccc2sccc2c1F
InChIInChI=1S/C10H10FNS/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2,4,6H,3,5,12H2
InChIKeyFYRYKLCLKWJGOA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.54
Rot. Bonds2

About 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine

2-(4-fluoro-1-benzothiophen-5-yl)ethanamine (PubChem CID 82374652) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-1-benzothiophen-5-yl)ethanamine
PubChem CID82374652
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name2-(4-fluoro-1-benzothiophen-5-yl)ethanamine
SMILESNCCc1ccc2sccc2c1F
InChIInChI=1S/C10H10FNS/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2,4,6H,3,5,12H2
InChIKeyFYRYKLCLKWJGOA-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine (CID 82374652) is 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine is NCCc1ccc2sccc2c1F.
What is the InChIKey of 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine?
The InChIKey is FYRYKLCLKWJGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c11-10-7(3-5-12)1-2-9-8(10)4-6-13-9/h1-2,4,6H,3,5,12H2.
What are the key properties of 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine?
2-(4-fluoro-1-benzothiophen-5-yl)ethanamine has a molecular weight of 195.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-benzothiophen-5-yl)ethanamine is sourced from PubChem (CID 82374652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).