3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

C9H14F3NO — CID 171568881

IUPAC3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESCOC1(C(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C9H14F3NO/c1-14-8(9(10,11)12)4-6-2-3-7(5-8)13-6/h6-7,13H,2-5H2,1H3
InChIKeyGBLLDIBRVRSSSC-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.85
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 171568881) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
PubChem CID171568881
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESCOC1(C(F)(F)F)CC2CCC(C1)N2
InChIInChI=1S/C9H14F3NO/c1-14-8(9(10,11)12)4-6-2-3-7(5-8)13-6/h6-7,13H,2-5H2,1H3
InChIKeyGBLLDIBRVRSSSC-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-3-(trifluoromethyl)-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-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (CID 171568881) is 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is COC1(C(F)(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is GBLLDIBRVRSSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-14-8(9(10,11)12)4-6-2-3-7(5-8)13-6/h6-7,13H,2-5H2,1H3.
What are the key properties of 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 209.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 171568881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).