6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one

C8H14F3NO — CID 130440229

IUPAC6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
SMILESCNC(CC(C)C(F)(F)F)C(C)=O
InChIInChI=1S/C8H14F3NO/c1-5(8(9,10)11)4-7(12-3)6(2)13/h5,7,12H,4H2,1-3H3
InChIKeyWZKQOXUWSFGURA-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.75
Rot. Bonds4

About 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one

6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one (PubChem CID 130440229) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
PubChem CID130440229
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one
SMILESCNC(CC(C)C(F)(F)F)C(C)=O
InChIInChI=1S/C8H14F3NO/c1-5(8(9,10)11)4-7(12-3)6(2)13/h5,7,12H,4H2,1-3H3
InChIKeyWZKQOXUWSFGURA-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-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 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
The IUPAC name of 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one (CID 130440229) is 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one is CNC(CC(C)C(F)(F)F)C(C)=O.
What is the InChIKey of 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
The InChIKey is WZKQOXUWSFGURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(8(9,10)11)4-7(12-3)6(2)13/h5,7,12H,4H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one?
6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one has a molecular weight of 197.20 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-methyl-3-(methylamino)hexan-2-one is sourced from PubChem (CID 130440229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).