1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one

C9H14F3NO2 — CID 51076738

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
SMILESCC1CN(C(=O)CC(F)(F)F)CC(C)O1
InChIInChI=1S/C9H14F3NO2/c1-6-4-13(5-7(2)15-6)8(14)3-9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyHJFBVDWSGUMDOQ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.57
Rot. Bonds1

About 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one (PubChem CID 51076738) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
PubChem CID51076738
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
SMILESCC1CN(C(=O)CC(F)(F)F)CC(C)O1
InChIInChI=1S/C9H14F3NO2/c1-6-4-13(5-7(2)15-6)8(14)3-9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyHJFBVDWSGUMDOQ-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 64684519
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanium
CID 153278899
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanylacetamide
CID 47030863
3-amino-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 16784840
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
CID 102937571
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
(6R)-6-methyl-4-[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]morpholine-2-carboxylic acid
CID 120536137
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43120415
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
2,6-dimethylmorpholine-4-carboxylic acid
CID 22047773

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one (CID 51076738) is 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one is CC1CN(C(=O)CC(F)(F)F)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one?
The InChIKey is HJFBVDWSGUMDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-6-4-13(5-7(2)15-6)8(14)3-9(10,11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 51076738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).