2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C10H13BrFNS — CID 126976094

IUPAC2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFCCNC1CCCc2sc(Br)cc21
InChIInChI=1S/C10H13BrFNS/c11-10-6-7-8(13-5-4-12)2-1-3-9(7)14-10/h6,8,13H,1-5H2
InChIKeyQQATZVCWIBPJCC-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 126976094) has the molecular formula C10H13BrFNS and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID126976094
Molecular FormulaC10H13BrFNS
Molecular Weight278.19 g/mol
Exact Mass276.99
IUPAC Name2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFCCNC1CCCc2sc(Br)cc21
InChIInChI=1S/C10H13BrFNS/c11-10-6-7-8(13-5-4-12)2-1-3-9(7)14-10/h6,8,13H,1-5H2
InChIKeyQQATZVCWIBPJCC-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-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-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 126976094) is 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is FCCNC1CCCc2sc(Br)cc21.
What is the InChIKey of 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is QQATZVCWIBPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNS/c11-10-6-7-8(13-5-4-12)2-1-3-9(7)14-10/h6,8,13H,1-5H2.
What are the key properties of 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 278.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-fluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 126976094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).