1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone

C8H13F2NO2 — CID 103515326

IUPAC1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
SMILESCC1CN(C(=O)C(F)F)C(C)CO1
InChIInChI=1S/C8H13F2NO2/c1-5-4-13-6(2)3-11(5)8(12)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyRNXOZHIAXTYMAX-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.89
Rot. Bonds1

About 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone

1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone (PubChem CID 103515326) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
PubChem CID103515326
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone
SMILESCC1CN(C(=O)C(F)F)C(C)CO1
InChIInChI=1S/C8H13F2NO2/c1-5-4-13-6(2)3-11(5)8(12)7(9)10/h5-7H,3-4H2,1-2H3
InChIKeyRNXOZHIAXTYMAX-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone (CID 103515326) is 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone is CC1CN(C(=O)C(F)F)C(C)CO1.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone?
The InChIKey is RNXOZHIAXTYMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5-4-13-6(2)3-11(5)8(12)7(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone?
1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone has a molecular weight of 193.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylmorpholin-4-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103515326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).