2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine

C11H13F2NO3S — CID 117444045

IUPAC2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1cc(F)c(F)c(C2CNCCO2)c1
InChIInChI=1S/C11H13F2NO3S/c1-18(15,16)7-4-8(11(13)9(12)5-7)10-6-14-2-3-17-10/h4-5,10,14H,2-3,6H2,1H3
InChIKeyQOYQALGZOJOVRA-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.03
Rot. Bonds2

About 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine

2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine (PubChem CID 117444045) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine
PubChem CID117444045
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1cc(F)c(F)c(C2CNCCO2)c1
InChIInChI=1S/C11H13F2NO3S/c1-18(15,16)7-4-8(11(13)9(12)5-7)10-6-14-2-3-17-10/h4-5,10,14H,2-3,6H2,1H3
InChIKeyQOYQALGZOJOVRA-UHFFFAOYSA-N
XLogP1.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine
CID 117364414
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
CID 117467306
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(2-fluoro-5-methoxy-3-methylphenyl)morpholine
CID 84790102
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine?
The IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine (CID 117444045) is 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine.
What is the SMILES notation for 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine?
The canonical SMILES for 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine is CS(=O)(=O)c1cc(F)c(F)c(C2CNCCO2)c1.
What is the InChIKey of 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine?
The InChIKey is QOYQALGZOJOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-18(15,16)7-4-8(11(13)9(12)5-7)10-6-14-2-3-17-10/h4-5,10,14H,2-3,6H2,1H3.
What are the key properties of 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine?
2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine has a molecular weight of 277.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 117444045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).