(7-fluoro-1-benzothiophen-3-yl)methanamine

C9H8FNS — CID 83398009

IUPAC(7-fluoro-1-benzothiophen-3-yl)methanamine
SMILESNCc1csc2c(F)cccc12
InChIInChI=1S/C9H8FNS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5H,4,11H2
InChIKeyDHMLENLQLMMDFF-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.50
Rot. Bonds1

About (7-fluoro-1-benzothiophen-3-yl)methanamine

(7-fluoro-1-benzothiophen-3-yl)methanamine (PubChem CID 83398009) has the molecular formula C9H8FNS and a molecular weight of 181.24 g/mol. Its IUPAC name is (7-fluoro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzothiophen-3-yl)methanamine
PubChem CID83398009
Molecular FormulaC9H8FNS
Molecular Weight181.24 g/mol
Exact Mass181.04
IUPAC Name(7-fluoro-1-benzothiophen-3-yl)methanamine
SMILESNCc1csc2c(F)cccc12
InChIInChI=1S/C9H8FNS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5H,4,11H2
InChIKeyDHMLENLQLMMDFF-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 ≤ 500181.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (7-fluoro-1-benzothiophen-3-yl)methanamine (CID 83398009) is (7-fluoro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (7-fluoro-1-benzothiophen-3-yl)methanamine is NCc1csc2c(F)cccc12.
What is the InChIKey of (7-fluoro-1-benzothiophen-3-yl)methanamine?
The InChIKey is DHMLENLQLMMDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5H,4,11H2.
What are the key properties of (7-fluoro-1-benzothiophen-3-yl)methanamine?
(7-fluoro-1-benzothiophen-3-yl)methanamine has a molecular weight of 181.24 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 (7-fluoro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 83398009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).