2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one

C16H22FNO2 — CID 110313844

IUPAC2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
SMILESCC1CN(C(=O)C(c2ccc(F)cc2)C(C)C)CCO1
InChIInChI=1S/C16H22FNO2/c1-11(2)15(13-4-6-14(17)7-5-13)16(19)18-8-9-20-12(3)10-18/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyQZZONKSWWNRZKA-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.81
Rot. Bonds3

About 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one

2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one (PubChem CID 110313844) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
PubChem CID110313844
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
SMILESCC1CN(C(=O)C(c2ccc(F)cc2)C(C)C)CCO1
InChIInChI=1S/C16H22FNO2/c1-11(2)15(13-4-6-14(17)7-5-13)16(19)18-8-9-20-12(3)10-18/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyQZZONKSWWNRZKA-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 110310019
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048
3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 71510686
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 110354740
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one (CID 110313844) is 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one is CC1CN(C(=O)C(c2ccc(F)cc2)C(C)C)CCO1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
The InChIKey is QZZONKSWWNRZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-11(2)15(13-4-6-14(17)7-5-13)16(19)18-8-9-20-12(3)10-18/h4-7,11-12,15H,8-10H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one?
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one has a molecular weight of 279.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 110313844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).