1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one

C17H24FNO2 — CID 110327504

IUPAC1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(c2ccc(F)cc2)OCC1(C)C
InChIInChI=1S/C17H24FNO2/c1-12(2)9-16(20)19-10-15(21-11-17(19,3)4)13-5-7-14(18)8-6-13/h5-8,12,15H,9-11H2,1-4H3
InChIKeyWLORUGFJMYNSCY-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.55
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one

1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one (PubChem CID 110327504) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
PubChem CID110327504
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(c2ccc(F)cc2)OCC1(C)C
InChIInChI=1S/C17H24FNO2/c1-12(2)9-16(20)19-10-15(21-11-17(19,3)4)13-5-7-14(18)8-6-13/h5-8,12,15H,9-11H2,1-4H3
InChIKeyWLORUGFJMYNSCY-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 110353788
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one (CID 110327504) is 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CC(c2ccc(F)cc2)OCC1(C)C.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one?
The InChIKey is WLORUGFJMYNSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12(2)9-16(20)19-10-15(21-11-17(19,3)4)13-5-7-14(18)8-6-13/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one?
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110327504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).