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

C10H16F3NO2 — CID 79119690

IUPAC4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one
SMILESCN(CCOC(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(6-7-16-10(11,12)13)8-2-4-9(15)5-3-8/h8H,2-7H2,1H3
InChIKeyZDRYVUNDBSXFHH-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.97
Rot. Bonds4

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

4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one (PubChem CID 79119690) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one
PubChem CID79119690
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one
SMILESCN(CCOC(F)(F)F)C1CCC(=O)CC1
InChIInChI=1S/C10H16F3NO2/c1-14(6-7-16-10(11,12)13)8-2-4-9(15)5-3-8/h8H,2-7H2,1H3
InChIKeyZDRYVUNDBSXFHH-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methyl-[2-(trifluoromethoxy)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-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one (CID 79119690) is 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one is CN(CCOC(F)(F)F)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one?
The InChIKey is ZDRYVUNDBSXFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(6-7-16-10(11,12)13)8-2-4-9(15)5-3-8/h8H,2-7H2,1H3.
What are the key properties of 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one?
4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(trifluoromethoxy)ethyl]amino]cyclohexan-1-one is sourced from PubChem (CID 79119690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).