6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol

C9H14F3NO — CID 117050719

IUPAC6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol
SMILESOC1CCC2CC1CN2CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-4-6-3-7(13)1-2-8(6)14/h6-8,14H,1-5H2
InChIKeyOSXJNJBIJGLLJC-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.39
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol

6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol (PubChem CID 117050719) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol
PubChem CID117050719
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol
SMILESOC1CCC2CC1CN2CC(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-13-4-6-3-7(13)1-2-8(6)14/h6-8,14H,1-5H2
InChIKeyOSXJNJBIJGLLJC-UHFFFAOYSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol (CID 117050719) is 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol is OC1CCC2CC1CN2CC(F)(F)F.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is OSXJNJBIJGLLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-13-4-6-3-7(13)1-2-8(6)14/h6-8,14H,1-5H2.
What are the key properties of 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol?
6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 209.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-6-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 117050719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).