2-(2,2,2-trifluoroethylsulfonyl)ethanamine

C4H8F3NO2S — CID 58685127

IUPAC2-(2,2,2-trifluoroethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2
InChIKeyLCAFKXUREMWCMM-UHFFFAOYSA-N
MW191.17 g/mol
LogP-0.08
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfonyl)ethanamine

2-(2,2,2-trifluoroethylsulfonyl)ethanamine (PubChem CID 58685127) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfonyl)ethanamine
PubChem CID58685127
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name2-(2,2,2-trifluoroethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2
InChIKeyLCAFKXUREMWCMM-UHFFFAOYSA-N
XLogP-0.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethylsulfonyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090
2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
CID 131728699
2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655
2-propylsulfonylethanamine;hydrochloride
CID 87608994
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
1-(3,3,3-trifluoropropylsulfonyl)propan-2-amine
CID 81188635
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
CID 87154616
1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 151114367

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine (CID 58685127) is 2-(2,2,2-trifluoroethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfonyl)ethanamine is NCCS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine?
The InChIKey is LCAFKXUREMWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c5-4(6,7)3-11(9,10)2-1-8/h1-3,8H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine?
2-(2,2,2-trifluoroethylsulfonyl)ethanamine has a molecular weight of 191.17 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfonyl)ethanamine is sourced from PubChem (CID 58685127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).