2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone

C13H16FNO2 — CID 79077203

IUPAC2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-15-6-7-17-13(9-15)12(16)8-10-2-4-11(14)5-3-10/h2-5,13H,6-9H2,1H3
InChIKeyLSDSEAJRDANHGG-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone

2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone (PubChem CID 79077203) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
PubChem CID79077203
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
SMILESCN1CCOC(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-15-6-7-17-13(9-15)12(16)8-10-2-4-11(14)5-3-10/h2-5,13H,6-9H2,1H3
InChIKeyLSDSEAJRDANHGG-UHFFFAOYSA-N
XLogP1.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79078303
1-(4-methylmorpholin-2-yl)-2-thiophen-3-ylethanone
CID 79078299
2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077716
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
N-[[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-pyridinyl]methyl]-4-methylmorpholine-2-carboxamide
CID 157015927
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
2-(4-amino-3-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79076896
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
1-(4-propylmorpholin-2-yl)-2-pyridin-4-ylethanone
CID 79669232

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone (CID 79077203) is 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone is CN1CCOC(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
The InChIKey is LSDSEAJRDANHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-6-7-17-13(9-15)12(16)8-10-2-4-11(14)5-3-10/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone?
2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone has a molecular weight of 237.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79077203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).