2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane

C17H21F3O3S — CID 118432395

IUPAC2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
SMILESCCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C2CC2)C1
InChIInChI=1S/C17H21F3O3S/c1-2-16(8-9-23-15(11-16)12-6-7-12)24(21,22)14-5-3-4-13(10-14)17(18,19)20/h3-5,10,12,15H,2,6-9,11H2,1H3
InChIKeyXUDWFSUJHYLTPZ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.22
Rot. Bonds4

About 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane

2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane (PubChem CID 118432395) has the molecular formula C17H21F3O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane.

Molecular Properties

Compound Name2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
PubChem CID118432395
Molecular FormulaC17H21F3O3S
Molecular Weight362.41 g/mol
Exact Mass362.12
IUPAC Name2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
SMILESCCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C2CC2)C1
InChIInChI=1S/C17H21F3O3S/c1-2-16(8-9-23-15(11-16)12-6-7-12)24(21,22)14-5-3-4-13(10-14)17(18,19)20/h3-5,10,12,15H,2,6-9,11H2,1H3
InChIKeyXUDWFSUJHYLTPZ-UHFFFAOYSA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane 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-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The IUPAC name of 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane (CID 118432395) is 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane.
What is the SMILES notation for 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The canonical SMILES for 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane is CCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The InChIKey is XUDWFSUJHYLTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O3S/c1-2-16(8-9-23-15(11-16)12-6-7-12)24(21,22)14-5-3-4-13(10-14)17(18,19)20/h3-5,10,12,15H,2,6-9,11H2,1H3.
What are the key properties of 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane has a molecular weight of 362.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane is sourced from PubChem (CID 118432395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).