1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone

C13H16FNO2 — CID 102604185

IUPAC1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-10(16)15-6-7-17-13(9-15)8-11-2-4-12(14)5-3-11/h2-5,13H,6-9H2,1H3
InChIKeyWZSVQELEVKUUEU-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.62
Rot. Bonds2

About 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone (PubChem CID 102604185) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
PubChem CID102604185
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c1-10(16)15-6-7-17-13(9-15)8-11-2-4-12(14)5-3-11/h2-5,13H,6-9H2,1H3
InChIKeyWZSVQELEVKUUEU-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 95126263
(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 42115591
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45174765
[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 25313075
1-[2-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45215299
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
CID 29023713
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone (CID 102604185) is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
The InChIKey is WZSVQELEVKUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-10(16)15-6-7-17-13(9-15)8-11-2-4-12(14)5-3-11/h2-5,13H,6-9H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone?
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone has a molecular weight of 237.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 102604185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).