8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane

C14H17F3N2O — CID 11185275

IUPAC8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C14H17F3N2O/c1-19-10-3-4-11(19)7-12(6-10)20-13-5-2-9(8-18-13)14(15,16)17/h2,5,8,10-12H,3-4,6-7H2,1H3
InChIKeyIXXRXJHNZUMFCK-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.10
Rot. Bonds2

About 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane

8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane (PubChem CID 11185275) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
PubChem CID11185275
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C14H17F3N2O/c1-19-10-3-4-11(19)7-12(6-10)20-13-5-2-9(8-18-13)14(15,16)17/h2,5,8,10-12H,3-4,6-7H2,1H3
InChIKeyIXXRXJHNZUMFCK-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane (CID 11185275) is 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(Oc1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is IXXRXJHNZUMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-19-10-3-4-11(19)7-12(6-10)20-13-5-2-9(8-18-13)14(15,16)17/h2,5,8,10-12H,3-4,6-7H2,1H3.
What are the key properties of 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 286.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11185275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).