2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O — CID 81490970

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC2CCC(C1)N2)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-15-10(18)6-17-4-3-8-1-2-9(5-17)16-8/h8-9,16H,1-7H2,(H,15,18)
InChIKeyXJSKTOBODPVDCO-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.49
Rot. Bonds3

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 81490970) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID81490970
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCC2CCC(C1)N2)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)7-15-10(18)6-17-4-3-8-1-2-9(5-17)16-8/h8-9,16H,1-7H2,(H,15,18)
InChIKeyXJSKTOBODPVDCO-UHFFFAOYSA-N
XLogP0.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 81490970) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCC2CCC(C1)N2)NCC(F)(F)F.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XJSKTOBODPVDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)7-15-10(18)6-17-4-3-8-1-2-9(5-17)16-8/h8-9,16H,1-7H2,(H,15,18).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 81490970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).