3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one

C17H24F2N2O2 — CID 45249097

IUPAC3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one
SMILESCN(C)CCC1CN(C(=O)CCc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C17H24F2N2O2/c1-20(2)8-7-14-12-21(9-10-23-14)17(22)6-4-13-3-5-15(18)16(19)11-13/h3,5,11,14H,4,6-10,12H2,1-2H3
InChIKeyGPUXOJLTRVFESO-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.08
Rot. Bonds6

About 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one

3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one (PubChem CID 45249097) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one
PubChem CID45249097
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one
SMILESCN(C)CCC1CN(C(=O)CCc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C17H24F2N2O2/c1-20(2)8-7-14-12-21(9-10-23-14)17(22)6-4-13-3-5-15(18)16(19)11-13/h3,5,11,14H,4,6-10,12H2,1-2H3
InChIKeyGPUXOJLTRVFESO-UHFFFAOYSA-N
XLogP2.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one (CID 45249097) is 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one is CN(C)CCC1CN(C(=O)CCc2ccc(F)c(F)c2)CCO1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one?
The InChIKey is GPUXOJLTRVFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-20(2)8-7-14-12-21(9-10-23-14)17(22)6-4-13-3-5-15(18)16(19)11-13/h3,5,11,14H,4,6-10,12H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one?
3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one has a molecular weight of 326.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45249097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).