4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one

C11H18F3NO2 — CID 79119771

IUPAC4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one
SMILESCN(CCOCC(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C11H18F3NO2/c1-15(6-7-17-8-11(12,13)14)9-2-4-10(16)5-3-9/h9H,2-8H2,1H3
InChIKeyQNCPCJFUXIJOSS-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.01
Rot. Bonds5

About 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one

4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one (PubChem CID 79119771) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one
PubChem CID79119771
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one
SMILESCN(CCOCC(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C11H18F3NO2/c1-15(6-7-17-8-11(12,13)14)9-2-4-10(16)5-3-9/h9H,2-8H2,1H3
InChIKeyQNCPCJFUXIJOSS-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]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-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one (CID 79119771) is 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one is CN(CCOCC(F)(F)F)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one?
The InChIKey is QNCPCJFUXIJOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-15(6-7-17-8-11(12,13)14)9-2-4-10(16)5-3-9/h9H,2-8H2,1H3.
What are the key properties of 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one?
4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one has a molecular weight of 253.26 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexan-1-one is sourced from PubChem (CID 79119771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).