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

C12H20F3NO — CID 62611872

IUPAC4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-3-9-4-5-11(17)10(6-9)7-16(2)8-12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyQZEJPWCIRREEND-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds4

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

4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62611872) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62611872
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-3-9-4-5-11(17)10(6-9)7-16(2)8-12(13,14)15/h9-10H,3-8H2,1-2H3
InChIKeyQZEJPWCIRREEND-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-[[methyl(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-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62611872) is 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is QZEJPWCIRREEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-3-9-4-5-11(17)10(6-9)7-16(2)8-12(13,14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 251.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62611872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).