2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone

C10H16F2N2O5S — CID 1356929

IUPAC2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H16F2N2O5S/c11-10(12,9(15)13-1-5-18-6-2-13)20(16,17)14-3-7-19-8-4-14/h1-8H2
InChIKeyYOCMLYWEMSKBMA-UHFFFAOYSA-N
MW314.31 g/mol
LogP-0.90
Rot. Bonds3

About 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone

2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone (PubChem CID 1356929) has the molecular formula C10H16F2N2O5S and a molecular weight of 314.31 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
PubChem CID1356929
Molecular FormulaC10H16F2N2O5S
Molecular Weight314.31 g/mol
Exact Mass314.07
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H16F2N2O5S/c11-10(12,9(15)13-1-5-18-6-2-13)20(16,17)14-3-7-19-8-4-14/h1-8H2
InChIKeyYOCMLYWEMSKBMA-UHFFFAOYSA-N
XLogP-0.90
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-Difluoro-2-morpholin-4-yl-2-oxoethanesulfonyl fluoride
CID 2831230
1,1-Difluoro-2-(morpholin-4-yl)-2-oxoethanesulfonyl azide
CID 1900570
2-[(Diazoazamvinyl)sulfonyl]-2,2-difluoro-1-morpholin-4-ylethan-1-one
CID 60146249
N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-N-(trifluoromethylsulfonyl)acetamide
CID 20690179
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-N-(trifluoromethylsulfonyl)acetamide
CID 20690181
(1,1-Difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide
CID 58051963
N-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)sulfonyl-1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonamide
CID 58051964
1,1-Difluoro-2-morpholin-4-yl-2-oxoethanesulfonate
CID 59349908
1,1-Difluoro-2-morpholin-4-yl-2-oxoethanesulfonamide
CID 1212508
4-[2-(Diazoniosulfamoyl)-2,2-difluoroacetyl]morpholine
CID 7007155
2,2-Difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone
CID 86258741
2,2-Difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone
CID 86258742

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone (CID 1356929) is 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone is O=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone?
The InChIKey is YOCMLYWEMSKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O5S/c11-10(12,9(15)13-1-5-18-6-2-13)20(16,17)14-3-7-19-8-4-14/h1-8H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone?
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone has a molecular weight of 314.31 g/mol, XLogP of -0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone is sourced from PubChem (CID 1356929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).