2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone

C8H13F2NO2S — CID 126769533

IUPAC2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COC(F)F)CCS1
InChIInChI=1S/C8H13F2NO2S/c1-6-4-11(2-3-14-6)7(12)5-13-8(9)10/h6,8H,2-5H2,1H3
InChIKeyMDRBPBQJZAUKLU-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.19
Rot. Bonds3

About 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone

2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone (PubChem CID 126769533) has the molecular formula C8H13F2NO2S and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone
PubChem CID126769533
Molecular FormulaC8H13F2NO2S
Molecular Weight225.26 g/mol
Exact Mass225.06
IUPAC Name2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)COC(F)F)CCS1
InChIInChI=1S/C8H13F2NO2S/c1-6-4-11(2-3-14-6)7(12)5-13-8(9)10/h6,8H,2-5H2,1H3
InChIKeyMDRBPBQJZAUKLU-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone (CID 126769533) is 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone is CC1CN(C(=O)COC(F)F)CCS1.
What is the InChIKey of 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone?
The InChIKey is MDRBPBQJZAUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2S/c1-6-4-11(2-3-14-6)7(12)5-13-8(9)10/h6,8H,2-5H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone?
2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone has a molecular weight of 225.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-(2-methylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 126769533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).