6,6-difluoro-2,5-dimethylmorpholin-3-one

C6H9F2NO2 — CID 170015746

IUPAC6,6-difluoro-2,5-dimethylmorpholin-3-one
SMILESCC1OC(F)(F)C(C)NC1=O
InChIInChI=1S/C6H9F2NO2/c1-3-5(10)9-4(2)6(7,8)11-3/h3-4H,1-2H3,(H,9,10)
InChIKeyIAUBTAXIUBGHJH-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.50
Rot. Bonds

About 6,6-difluoro-2,5-dimethylmorpholin-3-one

6,6-difluoro-2,5-dimethylmorpholin-3-one (PubChem CID 170015746) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 6,6-difluoro-2,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name6,6-difluoro-2,5-dimethylmorpholin-3-one
PubChem CID170015746
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name6,6-difluoro-2,5-dimethylmorpholin-3-one
SMILESCC1OC(F)(F)C(C)NC1=O
InChIInChI=1S/C6H9F2NO2/c1-3-5(10)9-4(2)6(7,8)11-3/h3-4H,1-2H3,(H,9,10)
InChIKeyIAUBTAXIUBGHJH-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-difluoro-2,5-dimethylmorpholin-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

Related Compounds

ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
CID 144512967
(2R,5R)-2-ethyl-5-methyl-1,3-oxazolidin-4-one
CID 55286471
(2R,5S)-2-ethyl-5-methyl-1,3-oxazolidin-4-one
CID 55286470
CID 70546334
CID 70546334
3,5,8-trimethyl-6-azaspiro[3.4]octan-7-one
CID 130900507
8,8-difluoro-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 118366543
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,5-dimethylmorpholin-3-one?
The IUPAC name of 6,6-difluoro-2,5-dimethylmorpholin-3-one (CID 170015746) is 6,6-difluoro-2,5-dimethylmorpholin-3-one.
What is the SMILES notation for 6,6-difluoro-2,5-dimethylmorpholin-3-one?
The canonical SMILES for 6,6-difluoro-2,5-dimethylmorpholin-3-one is CC1OC(F)(F)C(C)NC1=O.
What is the InChIKey of 6,6-difluoro-2,5-dimethylmorpholin-3-one?
The InChIKey is IAUBTAXIUBGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-3-5(10)9-4(2)6(7,8)11-3/h3-4H,1-2H3,(H,9,10).
What are the key properties of 6,6-difluoro-2,5-dimethylmorpholin-3-one?
6,6-difluoro-2,5-dimethylmorpholin-3-one has a molecular weight of 165.14 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,5-dimethylmorpholin-3-one is sourced from PubChem (CID 170015746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).