4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine

C11H12F3NO3S — CID 2140172

IUPAC4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)9-2-1-3-10(8-9)19(16,17)15-4-6-18-7-5-15/h1-3,8H,4-7H2
InChIKeyYTLJDTLYRAWESG-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.73
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine

4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine (PubChem CID 2140172) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine
PubChem CID2140172
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H12F3NO3S/c12-11(13,14)9-2-1-3-10(8-9)19(16,17)15-4-6-18-7-5-15/h1-3,8H,4-7H2
InChIKeyYTLJDTLYRAWESG-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine (CID 2140172) is 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine?
The InChIKey is YTLJDTLYRAWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c12-11(13,14)9-2-1-3-10(8-9)19(16,17)15-4-6-18-7-5-15/h1-3,8H,4-7H2.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine?
4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine has a molecular weight of 295.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 2140172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).