2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one

C11H16F3NO — CID 57195571

IUPAC2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)C(C)C2CCC1N2CC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-6-8-3-4-9(7(2)10(6)16)15(8)5-11(12,13)14/h6-9H,3-5H2,1-2H3
InChIKeyLKMZNSLBWRVXKR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.24
Rot. Bonds1

About 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one

2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 57195571) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID57195571
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)C(C)C2CCC1N2CC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-6-8-3-4-9(7(2)10(6)16)15(8)5-11(12,13)14/h6-9H,3-5H2,1-2H3
InChIKeyLKMZNSLBWRVXKR-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-8-(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 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 57195571) is 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one is CC1C(=O)C(C)C2CCC1N2CC(F)(F)F.
What is the InChIKey of 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is LKMZNSLBWRVXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-6-8-3-4-9(7(2)10(6)16)15(8)5-11(12,13)14/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one?
2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 235.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 57195571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).