2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H13BrF3NS — CID 62578652

IUPAC2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1ccccc1Br
InChIInChI=1S/C11H13BrF3NS/c1-8(6-16-7-11(13,14)15)17-10-5-3-2-4-9(10)12/h2-5,8,16H,6-7H2,1H3
InChIKeyBOZJCGQGNJTZSG-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.08
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62578652) has the molecular formula C11H13BrF3NS and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62578652
Molecular FormulaC11H13BrF3NS
Molecular Weight328.20 g/mol
Exact Mass326.99
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1ccccc1Br
InChIInChI=1S/C11H13BrF3NS/c1-8(6-16-7-11(13,14)15)17-10-5-3-2-4-9(10)12/h2-5,8,16H,6-7H2,1H3
InChIKeyBOZJCGQGNJTZSG-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-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-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62578652) is 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BOZJCGQGNJTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NS/c1-8(6-16-7-11(13,14)15)17-10-5-3-2-4-9(10)12/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 328.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62578652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).