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

C9H6FNS — CID 144840731

IUPAC(5-fluoro-1-benzothiophen-2-yl)methanimine
SMILES[H]/N=C/c1cc2cc(F)ccc2s1
InChIInChI=1S/C9H6FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5,11H/b11-5+
InChIKeyIEBISCPOGSSZBF-VZUCSPMQSA-N
MW179.22 g/mol
LogP3.04
Rot. Bonds1

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

(5-fluoro-1-benzothiophen-2-yl)methanimine (PubChem CID 144840731) has the molecular formula C9H6FNS and a molecular weight of 179.22 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)methanimine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)methanimine
PubChem CID144840731
Molecular FormulaC9H6FNS
Molecular Weight179.22 g/mol
Exact Mass179.02
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)methanimine
SMILES[H]/N=C/c1cc2cc(F)ccc2s1
InChIInChI=1S/C9H6FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5,11H/b11-5+
InChIKeyIEBISCPOGSSZBF-VZUCSPMQSA-N
XLogP3.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)methanimine?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)methanimine (CID 144840731) is (5-fluoro-1-benzothiophen-2-yl)methanimine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)methanimine?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)methanimine is [H]/N=C/c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)methanimine?
The InChIKey is IEBISCPOGSSZBF-VZUCSPMQSA-N. The full InChI is InChI=1S/C9H6FNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5,11H/b11-5+.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)methanimine?
(5-fluoro-1-benzothiophen-2-yl)methanimine has a molecular weight of 179.22 g/mol, XLogP of 3.04, 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)methanimine is sourced from PubChem (CID 144840731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).