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

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Related Compounds

6-tert-butyl-5,5-dimethylmorpholin-3-one
CID 121207446
2-(trifluoromethyl)-1,3-oxazolidin-4-one
CID 154179037
(6R)-5-(5-bromo-2-fluorophenyl)-5-methyl-6-(trifluoromethyl)morpholine-3-thione
CID 159833321
ethane;(6S)-6-methylmorpholin-3-one
CID 144732959
5,5,6,6-tetramethyl-3-(trifluoromethyl)piperidin-2-one
CID 162351710
5-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 15672703
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66107845
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 11095248
(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one
CID 58668344
(5S)-4,4,5-trimethyl-1,3-oxazolidin-2-one
CID 59885088
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one
CID 138039752

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).