1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

C14H17F2NO2 — CID 79045728

IUPAC1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C14H17F2NO2/c1-14(2,17-5-7-19-8-6-17)13(18)11-4-3-10(15)9-12(11)16/h3-4,9H,5-8H2,1-2H3
InChIKeyCIMQXDMLXPCKMY-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 79045728) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID79045728
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C14H17F2NO2/c1-14(2,17-5-7-19-8-6-17)13(18)11-4-3-10(15)9-12(11)16/h3-4,9H,5-8H2,1-2H3
InChIKeyCIMQXDMLXPCKMY-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-methyl-2-piperidin-1-ylpropan-1-one
CID 79045460
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724
1-(2,3-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044813
2-amino-1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 116590314
1-(4-bromothiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79595295
1-(2,4-difluorophenyl)-2-(3-methylmorpholin-4-yl)propan-1-one
CID 43796403
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
(2,4-difluorophenyl)-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 118741490

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 79045728) is 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is CIMQXDMLXPCKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(2,17-5-7-19-8-6-17)13(18)11-4-3-10(15)9-12(11)16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-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-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79045728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).