2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine

C10H9ClFNS — CID 66967614

IUPAC2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESNCCc1sc2cccc(F)c2c1Cl
InChIInChI=1S/C10H9ClFNS/c11-10-8(4-5-13)14-7-3-1-2-6(12)9(7)10/h1-3H,4-5,13H2
InChIKeyGLKCJSNIQMOCSA-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.19
Rot. Bonds2

About 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine

2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine (PubChem CID 66967614) has the molecular formula C10H9ClFNS and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine
PubChem CID66967614
Molecular FormulaC10H9ClFNS
Molecular Weight229.71 g/mol
Exact Mass229.01
IUPAC Name2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESNCCc1sc2cccc(F)c2c1Cl
InChIInChI=1S/C10H9ClFNS/c11-10-8(4-5-13)14-7-3-1-2-6(12)9(7)10/h1-3H,4-5,13H2
InChIKeyGLKCJSNIQMOCSA-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine (CID 66967614) is 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine is NCCc1sc2cccc(F)c2c1Cl.
What is the InChIKey of 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is GLKCJSNIQMOCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNS/c11-10-8(4-5-13)14-7-3-1-2-6(12)9(7)10/h1-3H,4-5,13H2.
What are the key properties of 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine?
2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 229.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 66967614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).