4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine

C13H18FNOS — CID 139470925

IUPAC4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine
SMILESCSc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C13H18FNOS/c1-9-7-15(8-10(2)16-9)13-5-4-11(17-3)6-12(13)14/h4-6,9-10H,7-8H2,1-3H3
InChIKeyACHVETWGYJYJEQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.16
Rot. Bonds2

About 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine

4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine (PubChem CID 139470925) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine
PubChem CID139470925
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine
SMILESCSc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C13H18FNOS/c1-9-7-15(8-10(2)16-9)13-5-4-11(17-3)6-12(13)14/h4-6,9-10H,7-8H2,1-3H3
InChIKeyACHVETWGYJYJEQ-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine (CID 139470925) is 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine is CSc1ccc(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine?
The InChIKey is ACHVETWGYJYJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-9-7-15(8-10(2)16-9)13-5-4-11(17-3)6-12(13)14/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine?
4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine has a molecular weight of 255.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfanylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 139470925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).