2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone

C13H15F2NOS — CID 103595199

IUPAC2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCN1CCSCC1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2NOS/c1-16-5-6-18-8-12(16)13(17)7-9-10(14)3-2-4-11(9)15/h2-4,12H,5-8H2,1H3
InChIKeyOFWVLQLEVPFTGG-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.12
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone

2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone (PubChem CID 103595199) has the molecular formula C13H15F2NOS and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
PubChem CID103595199
Molecular FormulaC13H15F2NOS
Molecular Weight271.33 g/mol
Exact Mass271.08
IUPAC Name2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCN1CCSCC1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H15F2NOS/c1-16-5-6-18-8-12(16)13(17)7-9-10(14)3-2-4-11(9)15/h2-4,12H,5-8H2,1H3
InChIKeyOFWVLQLEVPFTGG-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone (CID 103595199) is 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone is CN1CCSCC1C(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The InChIKey is OFWVLQLEVPFTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NOS/c1-16-5-6-18-8-12(16)13(17)7-9-10(14)3-2-4-11(9)15/h2-4,12H,5-8H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone has a molecular weight of 271.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanone is sourced from PubChem (CID 103595199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).