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

C9H9ClFNS — CID 155973410

IUPAC(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc2c(F)cccc12
InChIInChI=1S/C9H8FNS.ClH/c10-8-3-1-2-7-6(4-11)5-12-9(7)8;/h1-3,5H,4,11H2;1H
InChIKeyJVFDWUAYOBOLOP-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.92
Rot. Bonds1

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

(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride (PubChem CID 155973410) has the molecular formula C9H9ClFNS and a molecular weight of 217.70 g/mol. Its IUPAC name is (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
PubChem CID155973410
Molecular FormulaC9H9ClFNS
Molecular Weight217.70 g/mol
Exact Mass217.01
IUPAC Name(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc2c(F)cccc12
InChIInChI=1S/C9H8FNS.ClH/c10-8-3-1-2-7-6(4-11)5-12-9(7)8;/h1-3,5H,4,11H2;1H
InChIKeyJVFDWUAYOBOLOP-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride (CID 155973410) is (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1csc2c(F)cccc12.
What is the InChIKey of (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is JVFDWUAYOBOLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS.ClH/c10-8-3-1-2-7-6(4-11)5-12-9(7)8;/h1-3,5H,4,11H2;1H.
What are the key properties of (7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride?
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.92, 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;hydrochloride is sourced from PubChem (CID 155973410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).