1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone

C8H12F3NOS — CID 115661631

IUPAC1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
SMILESCCC1CN(C(=O)C(F)(F)F)CCS1
InChIInChI=1S/C8H12F3NOS/c1-2-6-5-12(3-4-14-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyGARNIFDEIOOJCS-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.90
Rot. Bonds1

About 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone

1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone (PubChem CID 115661631) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
PubChem CID115661631
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Name1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
SMILESCCC1CN(C(=O)C(F)(F)F)CCS1
InChIInChI=1S/C8H12F3NOS/c1-2-6-5-12(3-4-14-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyGARNIFDEIOOJCS-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Butyrylthiomorpholine
CID 784954
N,N-diethyl-2,2-difluoro-2-pentylsulfanylacetamide
CID 15152842
1-(4-Ethylsulfanyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 22959472
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-(3-Fluoro-3-methylsulfanylpiperidin-1-yl)ethanone
CID 167008492
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone (CID 115661631) is 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone is CCC1CN(C(=O)C(F)(F)F)CCS1.
What is the InChIKey of 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is GARNIFDEIOOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c1-2-6-5-12(3-4-14-6)7(13)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 227.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 115661631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).