2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone

C9H15F2NO3 — CID 126787509

IUPAC2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)COC(F)F
InChIInChI=1S/C9H15F2NO3/c1-9(2)6-14-4-3-12(9)7(13)5-15-8(10)11/h8H,3-6H2,1-2H3
InChIKeyGAQHYYSSZJMODY-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.86
Rot. Bonds3

About 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone

2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone (PubChem CID 126787509) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone
PubChem CID126787509
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)COC(F)F
InChIInChI=1S/C9H15F2NO3/c1-9(2)6-14-4-3-12(9)7(13)5-15-8(10)11/h8H,3-6H2,1-2H3
InChIKeyGAQHYYSSZJMODY-UHFFFAOYSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone (CID 126787509) is 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone is CC1(C)COCCN1C(=O)COC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The InChIKey is GAQHYYSSZJMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-9(2)6-14-4-3-12(9)7(13)5-15-8(10)11/h8H,3-6H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone has a molecular weight of 223.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 126787509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).