4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one

C15H26F3NO — CID 62611707

IUPAC4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CCC)CC(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c1-3-5-12-6-7-14(20)13(9-12)10-19(8-4-2)11-15(16,17)18/h12-13H,3-11H2,1-2H3
InChIKeyZLGZWBBLPLZDFB-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds7

About 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one

4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62611707) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62611707
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CCC)CC(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c1-3-5-12-6-7-14(20)13(9-12)10-19(8-4-2)11-15(16,17)18/h12-13H,3-11H2,1-2H3
InChIKeyZLGZWBBLPLZDFB-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-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 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62611707) is 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CCCC1CCC(=O)C(CN(CCC)CC(F)(F)F)C1.
What is the InChIKey of 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is ZLGZWBBLPLZDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-3-5-12-6-7-14(20)13(9-12)10-19(8-4-2)11-15(16,17)18/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62611707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).