(5-fluoro-1-benzothiophen-2-yl)methanamine

C9H8FNS — CID 39869113

IUPAC(5-fluoro-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2cc(F)ccc2s1
InChIInChI=1S/C9H8FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyVAFHNDAQEIJQSD-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.50
Rot. Bonds1

About (5-fluoro-1-benzothiophen-2-yl)methanamine

(5-fluoro-1-benzothiophen-2-yl)methanamine (PubChem CID 39869113) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)methanamine
PubChem CID39869113
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2cc(F)ccc2s1
InChIInChI=1S/C9H8FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyVAFHNDAQEIJQSD-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)methanamine (CID 39869113) is (5-fluoro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)methanamine is NCc1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)methanamine?
The InChIKey is VAFHNDAQEIJQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)methanamine?
(5-fluoro-1-benzothiophen-2-yl)methanamine has a molecular weight of 181.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 39869113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).