6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one

C9H12F3NO — CID 91008321

IUPAC6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CC(CC(F)(F)F)C(C1)N2
InChIInChI=1S/C9H12F3NO/c10-9(11,12)4-5-1-6-2-7(14)3-8(5)13-6/h5-6,8,13H,1-4H2
InChIKeyYCRGTWWTBXVERW-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.65
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one

6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 91008321) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID91008321
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CC(CC(F)(F)F)C(C1)N2
InChIInChI=1S/C9H12F3NO/c10-9(11,12)4-5-1-6-2-7(14)3-8(5)13-6/h5-6,8,13H,1-4H2
InChIKeyYCRGTWWTBXVERW-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,2,2-trifluoroethyl)-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 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 91008321) is 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CC(CC(F)(F)F)C(C1)N2.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YCRGTWWTBXVERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)4-5-1-6-2-7(14)3-8(5)13-6/h5-6,8,13H,1-4H2.
What are the key properties of 6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
6-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 207.19 g/mol, XLogP of 1.65, 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)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 91008321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).