3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane

C12H20F3NO2 — CID 114199677

IUPAC3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)COCCCOC1CC2CCC(C1)N2
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-17-4-1-5-18-11-6-9-2-3-10(7-11)16-9/h9-11,16H,1-8H2
InChIKeyMCHSDLXGBMKPPG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.26
Rot. Bonds6

About 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane

3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 114199677) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane
PubChem CID114199677
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)COCCCOC1CC2CCC(C1)N2
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)8-17-4-1-5-18-11-6-9-2-3-10(7-11)16-9/h9-11,16H,1-8H2
InChIKeyMCHSDLXGBMKPPG-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane 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 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane (CID 114199677) is 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane is FC(F)(F)COCCCOC1CC2CCC(C1)N2.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is MCHSDLXGBMKPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)8-17-4-1-5-18-11-6-9-2-3-10(7-11)16-9/h9-11,16H,1-8H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane?
3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 267.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114199677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).