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

C11H11F4NO3S — CID 134821850

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H11F4NO3S/c12-10-2-1-8(7-9(10)11(13,14)15)20(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6H2
InChIKeyBMRKNECNULYBJT-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.87
Rot. Bonds2

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

4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine (PubChem CID 134821850) has the molecular formula C11H11F4NO3S and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine
PubChem CID134821850
Molecular FormulaC11H11F4NO3S
Molecular Weight313.27 g/mol
Exact Mass313.04
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C11H11F4NO3S/c12-10-2-1-8(7-9(10)11(13,14)15)20(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6H2
InChIKeyBMRKNECNULYBJT-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine (CID 134821850) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine?
The InChIKey is BMRKNECNULYBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3S/c12-10-2-1-8(7-9(10)11(13,14)15)20(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6H2.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine?
4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine has a molecular weight of 313.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 134821850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).