1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

C15H19F2NO2 — CID 104959387

IUPAC1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H19F2NO2/c1-9-7-18(8-10(2)20-9)11(3)15(19)12-4-5-13(16)14(17)6-12/h4-6,9-11H,7-8H2,1-3H3/t9-,10+,11?
InChIKeyZZMZINDLLQFUDF-ZACCUICWSA-N
MW283.32 g/mol
LogP2.65
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one

1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 104959387) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
PubChem CID104959387
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H19F2NO2/c1-9-7-18(8-10(2)20-9)11(3)15(19)12-4-5-13(16)14(17)6-12/h4-6,9-11H,7-8H2,1-3H3/t9-,10+,11?
InChIKeyZZMZINDLLQFUDF-ZACCUICWSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one (CID 104959387) is 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one is CC(C(=O)c1ccc(F)c(F)c1)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is ZZMZINDLLQFUDF-ZACCUICWSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9-7-18(8-10(2)20-9)11(3)15(19)12-4-5-13(16)14(17)6-12/h4-6,9-11H,7-8H2,1-3H3/t9-,10+,11?.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one?
1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 283.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 104959387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).