(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine

C5H8F3NO2S — CID 102330069

IUPAC(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine
SMILESCC[C@@H]1CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-2-4-3-9(4)12(10,11)5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m1/s1
InChIKeyWNCPPSXYJWHLFM-UGZZBTRQSA-N
MW203.18 g/mol
LogP0.93
Rot. Bonds2

About (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine

(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine (PubChem CID 102330069) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine.

Molecular Properties

Compound Name(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine
PubChem CID102330069
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine
SMILESCC[C@@H]1CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-2-4-3-9(4)12(10,11)5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m1/s1
InChIKeyWNCPPSXYJWHLFM-UGZZBTRQSA-N
XLogP0.93
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine 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 (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine?
The IUPAC name of (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine (CID 102330069) is (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine.
What is the SMILES notation for (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine?
The canonical SMILES for (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine is CC[C@@H]1CN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine?
The InChIKey is WNCPPSXYJWHLFM-UGZZBTRQSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-2-4-3-9(4)12(10,11)5(6,7)8/h4H,2-3H2,1H3/t4-,9?/m1/s1.
What are the key properties of (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine?
(2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine has a molecular weight of 203.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-(trifluoromethylsulfonyl)aziridine is sourced from PubChem (CID 102330069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).