1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one

C17H24FNO2 — CID 106880851

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1c(C)cc(C)cc1F)N1CCOCC1
InChIInChI=1S/C17H24FNO2/c1-5-17(4,19-6-8-21-9-7-19)16(20)15-13(3)10-12(2)11-14(15)18/h10-11H,5-9H2,1-4H3
InChIKeyAXNVBHFRNRCESB-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.13
Rot. Bonds4

About 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one

1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one (PubChem CID 106880851) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
PubChem CID106880851
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1c(C)cc(C)cc1F)N1CCOCC1
InChIInChI=1S/C17H24FNO2/c1-5-17(4,19-6-8-21-9-7-19)16(20)15-13(3)10-12(2)11-14(15)18/h10-11H,5-9H2,1-4H3
InChIKeyAXNVBHFRNRCESB-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 79705373
2-(azepan-1-yl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106880847
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
CID 106883129
1-(3-chloro-4-methylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 107559877
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 106883114
2-methyl-1-(5-methylthiophen-3-yl)-2-morpholin-4-ylbutan-1-one
CID 79065462
2-methyl-1-(2-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 66596867
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 15702405
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
1-(5-fluoro-2-methylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79069554
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106761832

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one (CID 106880851) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)c1c(C)cc(C)cc1F)N1CCOCC1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The InChIKey is AXNVBHFRNRCESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-5-17(4,19-6-8-21-9-7-19)16(20)15-13(3)10-12(2)11-14(15)18/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 106880851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).