8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one

C9H12F3NO2 — CID 123771981

IUPAC8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C(O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-6,8,15H,1-4H2
InChIKeyCBOJLUSIHVKNNL-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.06
Rot. Bonds1

About 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 123771981) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID123771981
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2C(O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-6,8,15H,1-4H2
InChIKeyCBOJLUSIHVKNNL-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 123771981) is 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2C(O)C(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is CBOJLUSIHVKNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)8(15)13-5-1-2-6(13)4-7(14)3-5/h5-6,8,15H,1-4H2.
What are the key properties of 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 223.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoro-1-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 123771981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).