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

C17H21F3O3S — CID 174840073

IUPAC4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane
SMILESCCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C2CC2)CCO1
InChIInChI=1S/C17H21F3O3S/c1-2-16(11-13(8-9-23-16)12-6-7-12)24(21,22)15-5-3-4-14(10-15)17(18,19)20/h3-5,10,12-13H,2,6-9,11H2,1H3
InChIKeyCADOPAMREOAFFN-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.42
Rot. Bonds4

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

4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane (PubChem CID 174840073) has the molecular formula C17H21F3O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane.

Molecular Properties

Compound Name4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane
PubChem CID174840073
Molecular FormulaC17H21F3O3S
Molecular Weight362.41 g/mol
Exact Mass362.12
IUPAC Name4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane
SMILESCCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C2CC2)CCO1
InChIInChI=1S/C17H21F3O3S/c1-2-16(11-13(8-9-23-16)12-6-7-12)24(21,22)15-5-3-4-14(10-15)17(18,19)20/h3-5,10,12-13H,2,6-9,11H2,1H3
InChIKeyCADOPAMREOAFFN-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The IUPAC name of 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane (CID 174840073) is 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane.
What is the SMILES notation for 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The canonical SMILES for 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane is CCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC(C2CC2)CCO1.
What is the InChIKey of 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The InChIKey is CADOPAMREOAFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O3S/c1-2-16(11-13(8-9-23-16)12-6-7-12)24(21,22)15-5-3-4-14(10-15)17(18,19)20/h3-5,10,12-13H,2,6-9,11H2,1H3.
What are the key properties of 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane?
4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane has a molecular weight of 362.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonyloxane is sourced from PubChem (CID 174840073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).