3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one

C18H26FNO2 — CID 110353788

IUPAC3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
SMILESCCC(CC(=O)N1CC(C)OCC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO2/c1-5-14(15-6-8-16(19)9-7-15)10-17(21)20-11-13(2)22-12-18(20,3)4/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyNTLKKRRLHIXHJG-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.74
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one

3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one (PubChem CID 110353788) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
PubChem CID110353788
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
SMILESCCC(CC(=O)N1CC(C)OCC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H26FNO2/c1-5-14(15-6-8-16(19)9-7-15)10-17(21)20-11-13(2)22-12-18(20,3)4/h6-9,13-14H,5,10-12H2,1-4H3
InChIKeyNTLKKRRLHIXHJG-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 112507460
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
CID 110610777
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
1-(6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazin-4-yl)-3-(4-fluorophenyl)hexan-1-one
CID 110354433
1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
CID 97108997
3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110356139
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110354780
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)pentanamide
CID 110353187

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one (CID 110353788) is 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one is CCC(CC(=O)N1CC(C)OCC1(C)C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
The InChIKey is NTLKKRRLHIXHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-5-14(15-6-8-16(19)9-7-15)10-17(21)20-11-13(2)22-12-18(20,3)4/h6-9,13-14H,5,10-12H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one?
3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one has a molecular weight of 307.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 110353788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).