2-(trifluoromethylsulfonyl)ethanamine;hydrochloride

C3H7ClF3NO2S — CID 88850818

IUPAC2-(trifluoromethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO2S.ClH/c4-3(5,6)10(8,9)2-1-7;/h1-2,7H2;1H
InChIKeyJRCJKUXIPDCNAA-UHFFFAOYSA-N
MW213.61 g/mol
LogP0.30
Rot. Bonds2

About 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride

2-(trifluoromethylsulfonyl)ethanamine;hydrochloride (PubChem CID 88850818) has the molecular formula C3H7ClF3NO2S and a molecular weight of 213.61 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)ethanamine;hydrochloride
PubChem CID88850818
Molecular FormulaC3H7ClF3NO2S
Molecular Weight213.61 g/mol
Exact Mass212.98
IUPAC Name2-(trifluoromethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO2S.ClH/c4-3(5,6)10(8,9)2-1-7;/h1-2,7H2;1H
InChIKeyJRCJKUXIPDCNAA-UHFFFAOYSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.61
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethylsulfonyl)ethanamine;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 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride?
The IUPAC name of 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride (CID 88850818) is 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride is Cl.NCCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride?
The InChIKey is JRCJKUXIPDCNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S.ClH/c4-3(5,6)10(8,9)2-1-7;/h1-2,7H2;1H.
What are the key properties of 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride?
2-(trifluoromethylsulfonyl)ethanamine;hydrochloride has a molecular weight of 213.61 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)ethanamine;hydrochloride is sourced from PubChem (CID 88850818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).