2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide

C11H18F2N2O3 — CID 163549705

IUPAC2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide
SMILESCC1CN(CCNC(=O)C(F)F)C(=O)C(C)(C)O1
InChIInChI=1S/C11H18F2N2O3/c1-7-6-15(10(17)11(2,3)18-7)5-4-14-9(16)8(12)13/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyFIASHXASJYBTNY-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.39
Rot. Bonds4

About 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide

2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide (PubChem CID 163549705) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide
PubChem CID163549705
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide
SMILESCC1CN(CCNC(=O)C(F)F)C(=O)C(C)(C)O1
InChIInChI=1S/C11H18F2N2O3/c1-7-6-15(10(17)11(2,3)18-7)5-4-14-9(16)8(12)13/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyFIASHXASJYBTNY-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide (CID 163549705) is 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide is CC1CN(CCNC(=O)C(F)F)C(=O)C(C)(C)O1.
What is the InChIKey of 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide?
The InChIKey is FIASHXASJYBTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c1-7-6-15(10(17)11(2,3)18-7)5-4-14-9(16)8(12)13/h7-8H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide?
2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide has a molecular weight of 264.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(2,2,6-trimethyl-3-oxomorpholin-4-yl)ethyl]acetamide is sourced from PubChem (CID 163549705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).