7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C11H18F3NO2 — CID 171964319

IUPAC7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(CCCC(F)(F)F)CC2COCC(C1)N2
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)3-1-2-10(16)4-8-6-17-7-9(5-10)15-8/h8-9,15-16H,1-7H2
InChIKeyXOOXHOVWJMEUKP-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.60
Rot. Bonds3

About 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171964319) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171964319
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(CCCC(F)(F)F)CC2COCC(C1)N2
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)3-1-2-10(16)4-8-6-17-7-9(5-10)15-8/h8-9,15-16H,1-7H2
InChIKeyXOOXHOVWJMEUKP-UHFFFAOYSA-N
XLogP1.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171964319) is 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(CCCC(F)(F)F)CC2COCC(C1)N2.
What is the InChIKey of 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is XOOXHOVWJMEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)3-1-2-10(16)4-8-6-17-7-9(5-10)15-8/h8-9,15-16H,1-7H2.
What are the key properties of 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 253.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171964319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).