3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane

C19H19F3N2O — CID 68810503

IUPAC3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
SMILESFC(F)(F)c1cccc(-c2ccc(OC3CN4CCC3CC4)cn2)c1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)15-3-1-2-14(10-15)17-5-4-16(11-23-17)25-18-12-24-8-6-13(18)7-9-24/h1-5,10-11,13,18H,6-9,12H2
InChIKeyKBHFNIASBJVKAQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.24
Rot. Bonds3

About 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane

3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane (PubChem CID 68810503) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
PubChem CID68810503
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane
SMILESFC(F)(F)c1cccc(-c2ccc(OC3CN4CCC3CC4)cn2)c1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)15-3-1-2-14(10-15)17-5-4-16(11-23-17)25-18-12-24-8-6-13(18)7-9-24/h1-5,10-11,13,18H,6-9,12H2
InChIKeyKBHFNIASBJVKAQ-UHFFFAOYSA-N
XLogP4.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane (CID 68810503) is 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane is FC(F)(F)c1cccc(-c2ccc(OC3CN4CCC3CC4)cn2)c1.
What is the InChIKey of 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
The InChIKey is KBHFNIASBJVKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)15-3-1-2-14(10-15)17-5-4-16(11-23-17)25-18-12-24-8-6-13(18)7-9-24/h1-5,10-11,13,18H,6-9,12H2.
What are the key properties of 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane?
3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane has a molecular weight of 348.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 68810503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).