N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine

C9H15F3N2O — CID 105364803

IUPACN-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)CONC1CCN2CCC1C2
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)6-15-13-8-2-4-14-3-1-7(8)5-14/h7-8,13H,1-6H2
InChIKeyHTQDVBRLYRODJF-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.16
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine

N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364803) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364803
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)CONC1CCN2CCC1C2
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)6-15-13-8-2-4-14-3-1-7(8)5-14/h7-8,13H,1-6H2
InChIKeyHTQDVBRLYRODJF-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylpiperidin-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711905
1-(1-propylpiperidin-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711929
1-(1-methylpiperidin-3-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712430
N-methoxy-1-azabicyclo[3.2.1]octan-4-amine
CID 105364799
N-ethoxy-1-azabicyclo[3.2.1]octan-4-amine
CID 105364800
N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364802
N-propan-2-yloxy-1-azabicyclo[3.2.1]octan-4-amine
CID 130718384
N-prop-2-ynoxy-1-azabicyclo[3.2.1]octan-4-amine
CID 130979815

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364803) is N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine is FC(F)(F)CONC1CCN2CCC1C2.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is HTQDVBRLYRODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)6-15-13-8-2-4-14-3-1-7(8)5-14/h7-8,13H,1-6H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 224.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).