1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone

C8H13F2NOS — CID 103516090

IUPAC1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
SMILESCC1(C)CN(C(=O)C(F)F)CCS1
InChIInChI=1S/C8H13F2NOS/c1-8(2)5-11(3-4-13-8)7(12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyZMGLSOADRLFYLR-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.61
Rot. Bonds1

About 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone

1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone (PubChem CID 103516090) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
PubChem CID103516090
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
SMILESCC1(C)CN(C(=O)C(F)F)CCS1
InChIInChI=1S/C8H13F2NOS/c1-8(2)5-11(3-4-13-8)7(12)6(9)10/h6H,3-5H2,1-2H3
InChIKeyZMGLSOADRLFYLR-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 45815919
1-Piperidin-1-yl-2-(trifluoromethylsulfanyl)ethanone
CID 51078869
2,2-Difluoro-1-thiomorpholin-4-ylbutan-1-one
CID 68248729
2,2-Difluoro-1-thiomorpholin-4-ylpropan-1-one
CID 89027809
3-Fluoro-2-methyl-1-thiomorpholin-4-ylpropan-1-one
CID 132137652
1-(4,4-Difluoropiperidin-1-yl)-2-methylsulfanylpropan-1-one
CID 169999451
2,2,3,3,4,4,4-Heptafluoro-1-(thiomorpholin-4-yl)butan-1-one
CID 1919400
2-(1,1,2,2,3,3,3-Heptafluoropropylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 21206559
N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
CID 21235246
2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-N,N-dipropylacetamide
CID 21235247
1-Piperidin-1-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 45815902
1-(3-Methylpiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 45815962

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone (CID 103516090) is 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone is CC1(C)CN(C(=O)C(F)F)CCS1.
What is the InChIKey of 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
The InChIKey is ZMGLSOADRLFYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c1-8(2)5-11(3-4-13-8)7(12)6(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone has a molecular weight of 209.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103516090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).