1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone

C13H15F2NO2 — CID 116685377

IUPAC1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2cc(F)cc(F)c2)N1
InChIInChI=1S/C13H15F2NO2/c1-8-6-18-7-12(16-8)5-13(17)9-2-10(14)4-11(15)3-9/h2-4,8,12,16H,5-7H2,1H3
InChIKeyQVUHIAPRIVKDGL-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.91
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone

1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone (PubChem CID 116685377) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
PubChem CID116685377
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2cc(F)cc(F)c2)N1
InChIInChI=1S/C13H15F2NO2/c1-8-6-18-7-12(16-8)5-13(17)9-2-10(14)4-11(15)3-9/h2-4,8,12,16H,5-7H2,1H3
InChIKeyQVUHIAPRIVKDGL-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone (CID 116685377) is 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone is CC1COCC(CC(=O)c2cc(F)cc(F)c2)N1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The InChIKey is QVUHIAPRIVKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8-6-18-7-12(16-8)5-13(17)9-2-10(14)4-11(15)3-9/h2-4,8,12,16H,5-7H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone has a molecular weight of 255.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone is sourced from PubChem (CID 116685377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).