8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H22F3NO2 — CID 146374927

IUPAC8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)OCN1C2CCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C13H22F3NO2/c1-11(2,3)19-8-17-9-4-5-10(17)7-12(18,6-9)13(14,15)16/h9-10,18H,4-8H2,1-3H3
InChIKeyAZEORVKAYIXCHJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.68
Rot. Bonds2

About 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 146374927) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID146374927
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)OCN1C2CCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C13H22F3NO2/c1-11(2,3)19-8-17-9-4-5-10(17)7-12(18,6-9)13(14,15)16/h9-10,18H,4-8H2,1-3H3
InChIKeyAZEORVKAYIXCHJ-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 146374927) is 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)OCN1C2CCC1CC(O)(C(F)(F)F)C2.
What is the InChIKey of 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AZEORVKAYIXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-11(2,3)19-8-17-9-4-5-10(17)7-12(18,6-9)13(14,15)16/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 281.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 146374927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).