2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O — CID 60647649

IUPAC2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CN2CCC1CC2)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-16-10(18)5-15-9-6-17-3-1-8(9)2-4-17/h8-9,15H,1-7H2,(H,16,18)
InChIKeyGAFNFXHGBJXWSC-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.35
Rot. Bonds4

About 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60647649) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60647649
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC1CN2CCC1CC2)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-16-10(18)5-15-9-6-17-3-1-8(9)2-4-17/h8-9,15H,1-7H2,(H,16,18)
InChIKeyGAFNFXHGBJXWSC-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 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60647649) is 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC1CN2CCC1CC2)NCC(F)(F)F.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GAFNFXHGBJXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)7-16-10(18)5-15-9-6-17-3-1-8(9)2-4-17/h8-9,15H,1-7H2,(H,16,18).
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)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 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60647649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).