2-(1-fluoroethyl)-1-benzothiophen-5-amine

C10H10FNS — CID 84666253

IUPAC2-(1-fluoroethyl)-1-benzothiophen-5-amine
SMILESCC(F)c1cc2cc(N)ccc2s1
InChIInChI=1S/C10H10FNS/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKeyHFEULSXSVULYCX-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.51
Rot. Bonds1

About 2-(1-fluoroethyl)-1-benzothiophen-5-amine

2-(1-fluoroethyl)-1-benzothiophen-5-amine (PubChem CID 84666253) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-1-benzothiophen-5-amine
PubChem CID84666253
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name2-(1-fluoroethyl)-1-benzothiophen-5-amine
SMILESCC(F)c1cc2cc(N)ccc2s1
InChIInChI=1S/C10H10FNS/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6H,12H2,1H3
InChIKeyHFEULSXSVULYCX-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-fluoroethyl)-1-benzothiophen-5-amine 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 2-(1-fluoroethyl)-1-benzothiophen-5-amine?
The IUPAC name of 2-(1-fluoroethyl)-1-benzothiophen-5-amine (CID 84666253) is 2-(1-fluoroethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for 2-(1-fluoroethyl)-1-benzothiophen-5-amine?
The canonical SMILES for 2-(1-fluoroethyl)-1-benzothiophen-5-amine is CC(F)c1cc2cc(N)ccc2s1.
What is the InChIKey of 2-(1-fluoroethyl)-1-benzothiophen-5-amine?
The InChIKey is HFEULSXSVULYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(11)10-5-7-4-8(12)2-3-9(7)13-10/h2-6H,12H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-1-benzothiophen-5-amine?
2-(1-fluoroethyl)-1-benzothiophen-5-amine has a molecular weight of 195.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 84666253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).