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

C11H18F2N2O4S — CID 86258741

IUPAC2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H18F2N2O4S/c12-11(13,10(16)14-6-8-19-9-7-14)20(17,18)15-4-2-1-3-5-15/h1-9H2
InChIKeyQXDSOQJLFZACEE-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.25
Rot. Bonds3

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

2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone (PubChem CID 86258741) has the molecular formula C11H18F2N2O4S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone
PubChem CID86258741
Molecular FormulaC11H18F2N2O4S
Molecular Weight312.34 g/mol
Exact Mass312.10
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H18F2N2O4S/c12-11(13,10(16)14-6-8-19-9-7-14)20(17,18)15-4-2-1-3-5-15/h1-9H2
InChIKeyQXDSOQJLFZACEE-UHFFFAOYSA-N
XLogP0.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone (CID 86258741) is 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone is O=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone?
The InChIKey is QXDSOQJLFZACEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O4S/c12-11(13,10(16)14-6-8-19-9-7-14)20(17,18)15-4-2-1-3-5-15/h1-9H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone?
2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone has a molecular weight of 312.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-piperidin-1-ylsulfonylethanone is sourced from PubChem (CID 86258741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).