9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C15H17F3N2O2 — CID 171973585

IUPAC9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCN1C2C=C(c3ccc(OCC(F)(F)F)nc3)CC1COC2
InChIInChI=1S/C15H17F3N2O2/c1-20-12-4-11(5-13(20)8-21-7-12)10-2-3-14(19-6-10)22-9-15(16,17)18/h2-4,6,12-13H,5,7-9H2,1H3
InChIKeyFVPOBINNGYSJGB-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.51
Rot. Bonds3

About 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene

9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171973585) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171973585
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCN1C2C=C(c3ccc(OCC(F)(F)F)nc3)CC1COC2
InChIInChI=1S/C15H17F3N2O2/c1-20-12-4-11(5-13(20)8-21-7-12)10-2-3-14(19-6-10)22-9-15(16,17)18/h2-4,6,12-13H,5,7-9H2,1H3
InChIKeyFVPOBINNGYSJGB-UHFFFAOYSA-N
XLogP2.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene 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 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171973585) is 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene is CN1C2C=C(c3ccc(OCC(F)(F)F)nc3)CC1COC2.
What is the InChIKey of 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is FVPOBINNGYSJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-20-12-4-11(5-13(20)8-21-7-12)10-2-3-14(19-6-10)22-9-15(16,17)18/h2-4,6,12-13H,5,7-9H2,1H3.
What are the key properties of 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 314.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171973585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).