5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one

C7H10F3NO2 — CID 134163295

IUPAC5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one
SMILESCC1(C)NC(=O)COC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-6(2)5(7(8,9)10)13-3-4(12)11-6/h5H,3H2,1-2H3,(H,11,12)
InChIKeyZBIZEIFOIKSHFZ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds

About 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one

5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one (PubChem CID 134163295) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one
PubChem CID134163295
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one
SMILESCC1(C)NC(=O)COC1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-6(2)5(7(8,9)10)13-3-4(12)11-6/h5H,3H2,1-2H3,(H,11,12)
InChIKeyZBIZEIFOIKSHFZ-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-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 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one (CID 134163295) is 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one is CC1(C)NC(=O)COC1C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is ZBIZEIFOIKSHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-6(2)5(7(8,9)10)13-3-4(12)11-6/h5H,3H2,1-2H3,(H,11,12).
What are the key properties of 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one?
5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one has a molecular weight of 197.16 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 134163295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).