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

C15H17F3O3S — CID 118432492

IUPAC2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC(C2CC2)C1
InChIInChI=1S/C15H17F3O3S/c16-15(17,18)11-2-1-3-12(8-11)22(19,20)13-6-7-21-14(9-13)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyHIPLFKIZNPVQHD-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.44
Rot. Bonds3

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

2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane (PubChem CID 118432492) has the molecular formula C15H17F3O3S and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
PubChem CID118432492
Molecular FormulaC15H17F3O3S
Molecular Weight334.36 g/mol
Exact Mass334.09
IUPAC Name2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC(C2CC2)C1
InChIInChI=1S/C15H17F3O3S/c16-15(17,18)11-2-1-3-12(8-11)22(19,20)13-6-7-21-14(9-13)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyHIPLFKIZNPVQHD-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The IUPAC name of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane (CID 118432492) is 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane.
What is the SMILES notation for 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The canonical SMILES for 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane is O=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC(C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
The InChIKey is HIPLFKIZNPVQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O3S/c16-15(17,18)11-2-1-3-12(8-11)22(19,20)13-6-7-21-14(9-13)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2.
What are the key properties of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane?
2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane has a molecular weight of 334.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane is sourced from PubChem (CID 118432492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).