1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one

C17H24FNO2 — CID 110313085

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1CCOCC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO2/c1-12(2)15(13-5-7-14(18)8-6-13)16(20)19-9-10-21-11-17(19,3)4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyFDLWOXBWJQCOCF-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.20
Rot. Bonds3

About 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one

1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one (PubChem CID 110313085) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one
PubChem CID110313085
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one
SMILESCC(C)C(C(=O)N1CCOCC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO2/c1-12(2)15(13-5-7-14(18)8-6-13)16(20)19-9-10-21-11-17(19,3)4/h5-8,12,15H,9-11H2,1-4H3
InChIKeyFDLWOXBWJQCOCF-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3156
Dextromoramide
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CID 10453145
Dopram
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Racemoramide
CID 9648
1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
(2R,3S)-2-[4-(4-fluorophenyl)phenyl]-N,N,3-trimethyl-4-(morpholin-4-yl)-4-oxobutanamide
CID 23647140
4-[(2,6-Dimethylphenyl)acetyl]morpholine
CID 839325
N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
2-(2-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 4882745
1-Morpholino-2,2-diphenylethanone
CID 229280

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one (CID 110313085) is 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one is CC(C)C(C(=O)N1CCOCC1(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one?
The InChIKey is FDLWOXBWJQCOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12(2)15(13-5-7-14(18)8-6-13)16(20)19-9-10-21-11-17(19,3)4/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one is sourced from PubChem (CID 110313085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).