1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine

C5H10F3NO2S — CID 81190027

IUPAC1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(9)2-12(10,11)3-5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyVRLGLYNGCNOEMH-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.31
Rot. Bonds3

About 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine

1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine (PubChem CID 81190027) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine
PubChem CID81190027
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine
SMILESCC(N)CS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(9)2-12(10,11)3-5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyVRLGLYNGCNOEMH-UHFFFAOYSA-N
XLogP0.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2,2-trifluoroethylsulfonyl)propan-2-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 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine (CID 81190027) is 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine is CC(N)CS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine?
The InChIKey is VRLGLYNGCNOEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(9)2-12(10,11)3-5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine?
1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine has a molecular weight of 205.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfonyl)propan-2-amine is sourced from PubChem (CID 81190027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).