4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine

C13H16F3NO4S — CID 2820865

IUPAC4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-1-3-12(4-2-11)22(18,19)10-7-17-5-8-20-9-6-17/h1-4H,5-10H2
InChIKeyALOXQOJQHWMZBV-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.69
Rot. Bonds5

About 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine

4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine (PubChem CID 2820865) has the molecular formula C13H16F3NO4S and a molecular weight of 339.33 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine
PubChem CID2820865
Molecular FormulaC13H16F3NO4S
Molecular Weight339.33 g/mol
Exact Mass339.08
IUPAC Name4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-1-3-12(4-2-11)22(18,19)10-7-17-5-8-20-9-6-17/h1-4H,5-10H2
InChIKeyALOXQOJQHWMZBV-UHFFFAOYSA-N
XLogP1.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine?
The IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine (CID 2820865) is 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine?
The canonical SMILES for 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine is O=S(=O)(CCN1CCOCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine?
The InChIKey is ALOXQOJQHWMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c14-13(15,16)21-11-1-3-12(4-2-11)22(18,19)10-7-17-5-8-20-9-6-17/h1-4H,5-10H2.
What are the key properties of 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine?
4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine has a molecular weight of 339.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethoxy)phenyl]sulfonylethyl]morpholine is sourced from PubChem (CID 2820865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).