4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one

C19H28FNO2 — CID 110354702

IUPAC4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one
SMILESCCC(CC)C(CC(=O)N1CCOCC1C)c1ccc(F)cc1
InChIInChI=1S/C19H28FNO2/c1-4-15(5-2)18(16-6-8-17(20)9-7-16)12-19(22)21-10-11-23-13-14(21)3/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyYKIHOFLNSVVOCN-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.98
Rot. Bonds6

About 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one

4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one (PubChem CID 110354702) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one.

Molecular Properties

Compound Name4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one
PubChem CID110354702
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one
SMILESCCC(CC)C(CC(=O)N1CCOCC1C)c1ccc(F)cc1
InChIInChI=1S/C19H28FNO2/c1-4-15(5-2)18(16-6-8-17(20)9-7-16)12-19(22)21-10-11-23-13-14(21)3/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyYKIHOFLNSVVOCN-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
(2-bromo-4-fluorophenyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832545
ethane;2-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-1-[(3S)-3-methylmorpholin-4-yl]ethanone
CID 178126698
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one?
The IUPAC name of 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one (CID 110354702) is 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one.
What is the SMILES notation for 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one?
The canonical SMILES for 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one is CCC(CC)C(CC(=O)N1CCOCC1C)c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one?
The InChIKey is YKIHOFLNSVVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-4-15(5-2)18(16-6-8-17(20)9-7-16)12-19(22)21-10-11-23-13-14(21)3/h6-9,14-15,18H,4-5,10-13H2,1-3H3.
What are the key properties of 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one?
4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one has a molecular weight of 321.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)hexan-1-one is sourced from PubChem (CID 110354702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).