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

C10H12BrF2NS — CID 82696717

IUPAC2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFC(F)CNC1CCCc2sc(Br)cc21
InChIInChI=1S/C10H12BrF2NS/c11-9-4-6-7(14-5-10(12)13)2-1-3-8(6)15-9/h4,7,10,14H,1-3,5H2
InChIKeyHYSFLPKOPZKXMR-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.74
Rot. Bonds3

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

2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 82696717) has the molecular formula C10H12BrF2NS and a molecular weight of 296.18 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID82696717
Molecular FormulaC10H12BrF2NS
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESFC(F)CNC1CCCc2sc(Br)cc21
InChIInChI=1S/C10H12BrF2NS/c11-9-4-6-7(14-5-10(12)13)2-1-3-8(6)15-9/h4,7,10,14H,1-3,5H2
InChIKeyHYSFLPKOPZKXMR-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 82696717) is 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is FC(F)CNC1CCCc2sc(Br)cc21.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is HYSFLPKOPZKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NS/c11-9-4-6-7(14-5-10(12)13)2-1-3-8(6)15-9/h4,7,10,14H,1-3,5H2.
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 296.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 82696717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).