4-(2-fluoro-4-methylsulfonylphenyl)morpholine

C11H14FNO3S — CID 4231177

IUPAC4-(2-fluoro-4-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H14FNO3S/c1-17(14,15)9-2-3-11(10(12)8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyQMWZAMNTBYCULS-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.07
Rot. Bonds2

About 4-(2-fluoro-4-methylsulfonylphenyl)morpholine

4-(2-fluoro-4-methylsulfonylphenyl)morpholine (PubChem CID 4231177) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfonylphenyl)morpholine
PubChem CID4231177
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-(2-fluoro-4-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H14FNO3S/c1-17(14,15)9-2-3-11(10(12)8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyQMWZAMNTBYCULS-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
The IUPAC name of 4-(2-fluoro-4-methylsulfonylphenyl)morpholine (CID 4231177) is 4-(2-fluoro-4-methylsulfonylphenyl)morpholine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfonylphenyl)morpholine is CS(=O)(=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
The InChIKey is QMWZAMNTBYCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-17(14,15)9-2-3-11(10(12)8-9)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(2-fluoro-4-methylsulfonylphenyl)morpholine?
4-(2-fluoro-4-methylsulfonylphenyl)morpholine has a molecular weight of 259.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 4231177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).