1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one

C14H17F2NO2 — CID 43796403

IUPAC1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1C(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c1-9-8-19-6-5-17(9)10(2)14(18)12-4-3-11(15)7-13(12)16/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyXAULVEVKQQMDKD-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one

1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 43796403) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID43796403
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
SMILESCC1COCCN1C(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2/c1-9-8-19-6-5-17(9)10(2)14(18)12-4-3-11(15)7-13(12)16/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyXAULVEVKQQMDKD-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594131
2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
CID 96528871
1-(2,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43794426
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
1-(2,4-difluorophenyl)-2-piperazin-1-ylpropan-1-one
CID 62052304
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
1-(2,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797028
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
2-(3-methylmorpholin-4-yl)propanehydrazide
CID 63573861
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63763871

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one (CID 43796403) is 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one is CC1COCCN1C(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is XAULVEVKQQMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-9-8-19-6-5-17(9)10(2)14(18)12-4-3-11(15)7-13(12)16/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one?
1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 269.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43796403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).