9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one

C10H14F3NO — CID 62714827

IUPAC9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-14-7-2-1-3-8(14)5-9(15)4-7/h7-8H,1-6H2
InChIKeyUMRPTNIUTSGVKK-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.13
Rot. Bonds1

About 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62714827) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62714827
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)6-14-7-2-1-3-8(14)5-9(15)4-7/h7-8H,1-6H2
InChIKeyUMRPTNIUTSGVKK-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-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 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62714827) is 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2CC(F)(F)F.
What is the InChIKey of 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is UMRPTNIUTSGVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)6-14-7-2-1-3-8(14)5-9(15)4-7/h7-8H,1-6H2.
What are the key properties of 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 221.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,2-trifluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62714827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).