1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone

C8H12F3NOS — CID 64592651

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
SMILESCC1CN(C(=O)C(F)(F)F)CC(C)S1
InChIInChI=1S/C8H12F3NOS/c1-5-3-12(4-6(2)14-5)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyFLASBBXCFHMUEP-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.90
Rot. Bonds

About 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone

1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone (PubChem CID 64592651) has the molecular formula C8H12F3NOS and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
PubChem CID64592651
Molecular FormulaC8H12F3NOS
Molecular Weight227.25 g/mol
Exact Mass227.06
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
SMILESCC1CN(C(=O)C(F)(F)F)CC(C)S1
InChIInChI=1S/C8H12F3NOS/c1-5-3-12(4-6(2)14-5)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3
InChIKeyFLASBBXCFHMUEP-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone (CID 64592651) is 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone is CC1CN(C(=O)C(F)(F)F)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is FLASBBXCFHMUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NOS/c1-5-3-12(4-6(2)14-5)7(13)8(9,10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone?
1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 227.25 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 64592651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).