2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide

C11H18F2N2O — CID 103515533

IUPAC2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
SMILESCN1C2CCC1CC(CNC(=O)C(F)F)C2
InChIInChI=1S/C11H18F2N2O/c1-15-8-2-3-9(15)5-7(4-8)6-14-11(16)10(12)13/h7-10H,2-6H2,1H3,(H,14,16)
InChIKeyXEBLXYBPMFMOMX-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.24
Rot. Bonds3

About 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide

2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide (PubChem CID 103515533) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
PubChem CID103515533
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide
SMILESCN1C2CCC1CC(CNC(=O)C(F)F)C2
InChIInChI=1S/C11H18F2N2O/c1-15-8-2-3-9(15)5-7(4-8)6-14-11(16)10(12)13/h7-10H,2-6H2,1H3,(H,14,16)
InChIKeyXEBLXYBPMFMOMX-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide (CID 103515533) is 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide is CN1C2CCC1CC(CNC(=O)C(F)F)C2.
What is the InChIKey of 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
The InChIKey is XEBLXYBPMFMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-15-8-2-3-9(15)5-7(4-8)6-14-11(16)10(12)13/h7-10H,2-6H2,1H3,(H,14,16).
What are the key properties of 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide?
2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide has a molecular weight of 232.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]acetamide is sourced from PubChem (CID 103515533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).