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

C9H15F3N2 — CID 105363559

IUPACN-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)CNC1CCN2CCC1C2
InChIInChI=1S/C9H15F3N2/c10-9(11,12)6-13-8-2-4-14-3-1-7(8)5-14/h7-8,13H,1-6H2
InChIKeyHQQQNTZDKHOKNA-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.23
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363559) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363559
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)(F)CNC1CCN2CCC1C2
InChIInChI=1S/C9H15F3N2/c10-9(11,12)6-13-8-2-4-14-3-1-7(8)5-14/h7-8,13H,1-6H2
InChIKeyHQQQNTZDKHOKNA-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105363559) is N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine is FC(F)(F)CNC1CCN2CCC1C2.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is HQQQNTZDKHOKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)6-13-8-2-4-14-3-1-7(8)5-14/h7-8,13H,1-6H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 208.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).