1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one

C16H21F2NO2 — CID 60680522

IUPAC1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one
SMILESCCC1COC(C)CN1C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO2/c1-4-13-9-21-10(2)8-19(13)11(3)16(20)12-5-6-14(17)15(18)7-12/h5-7,10-11,13H,4,8-9H2,1-3H3
InChIKeyAULNFHJSNXOTTC-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.04
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one

1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one (PubChem CID 60680522) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one
PubChem CID60680522
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Name1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one
SMILESCCC1COC(C)CN1C(C)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H21F2NO2/c1-4-13-9-21-10(2)8-19(13)11(3)16(20)12-5-6-14(17)15(18)7-12/h5-7,10-11,13H,4,8-9H2,1-3H3
InChIKeyAULNFHJSNXOTTC-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one
CID 60680544
1-(3,4-difluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 104959387
4-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-3-fluorophenol
CID 107720941
2-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-5-fluorophenol
CID 82975113
2-(2,5-dimethylmorpholin-4-yl)-1-phenylpropan-1-one
CID 43796467
[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 63185756
3-(5-ethyl-2-methylmorpholin-4-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996574
4-(5-ethyl-2-methylmorpholin-4-yl)pentanoic acid
CID 62212916
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 81464671
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
3-(5-ethyl-2-methylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408801

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one (CID 60680522) is 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one is CCC1COC(C)CN1C(C)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is AULNFHJSNXOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-4-13-9-21-10(2)8-19(13)11(3)16(20)12-5-6-14(17)15(18)7-12/h5-7,10-11,13H,4,8-9H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one?
1-(3,4-difluorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 297.35 g/mol, XLogP of 3.04, 4 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-(5-ethyl-2-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 60680522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).