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

C8H13F2NOS — CID 103515521

IUPAC1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
SMILESCC1CN(C(=O)C(F)F)CC(C)S1
InChIInChI=1S/C8H13F2NOS/c1-5-3-11(4-6(2)13-5)8(12)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyVASBGJZCMBEQMH-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.60
Rot. Bonds1

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

1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone (PubChem CID 103515521) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
PubChem CID103515521
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
SMILESCC1CN(C(=O)C(F)F)CC(C)S1
InChIInChI=1S/C8H13F2NOS/c1-5-3-11(4-6(2)13-5)8(12)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyVASBGJZCMBEQMH-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
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-difluoroethanone?
The IUPAC name of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone (CID 103515521) is 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone is CC1CN(C(=O)C(F)F)CC(C)S1.
What is the InChIKey of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
The InChIKey is VASBGJZCMBEQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c1-5-3-11(4-6(2)13-5)8(12)7(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone?
1-(2,6-dimethylthiomorpholin-4-yl)-2,2-difluoroethanone has a molecular weight of 209.26 g/mol, XLogP of 1.60, 1 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-difluoroethanone is sourced from PubChem (CID 103515521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).