N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H18F3N3O — CID 78914946

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CN2CCC1CC2
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-15-5-10(18)16-9-6-17-3-1-8(9)2-4-17/h8-9,15H,1-7H2,(H,16,18)
InChIKeyHAJJDYFEBKFNJE-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.35
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914946) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914946
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CN2CCC1CC2
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-15-5-10(18)16-9-6-17-3-1-8(9)2-4-17/h8-9,15H,1-7H2,(H,16,18)
InChIKeyHAJJDYFEBKFNJE-UHFFFAOYSA-N
XLogP0.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914946) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HAJJDYFEBKFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)7-15-5-10(18)16-9-6-17-3-1-8(9)2-4-17/h8-9,15H,1-7H2,(H,16,18).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 265.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).