3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol

C9H14F3NO — CID 50990618

IUPAC3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C(F)(F)F)CC2CCCC(C1)N2
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-6-2-1-3-7(5-8)13-6/h6-7,13-14H,1-5H2
InChIKeyCIKUVALPELDGLU-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.58
Rot. Bonds

About 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 50990618) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID50990618
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(C(F)(F)F)CC2CCCC(C1)N2
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-6-2-1-3-7(5-8)13-6/h6-7,13-14H,1-5H2
InChIKeyCIKUVALPELDGLU-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 50990618) is 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(C(F)(F)F)CC2CCCC(C1)N2.
What is the InChIKey of 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is CIKUVALPELDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)8(14)4-6-2-1-3-7(5-8)13-6/h6-7,13-14H,1-5H2.
What are the key properties of 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 209.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 50990618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).