1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone

C13H16FNO2 — CID 116685057

IUPAC1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2cccc(F)c2)N1
InChIInChI=1S/C13H16FNO2/c1-9-7-17-8-12(15-9)6-13(16)10-3-2-4-11(14)5-10/h2-5,9,12,15H,6-8H2,1H3
InChIKeyJKXRQULLSMPBLM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.78
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone

1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone (PubChem CID 116685057) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
PubChem CID116685057
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone
SMILESCC1COCC(CC(=O)c2cccc(F)c2)N1
InChIInChI=1S/C13H16FNO2/c1-9-7-17-8-12(15-9)6-13(16)10-3-2-4-11(14)5-10/h2-5,9,12,15H,6-8H2,1H3
InChIKeyJKXRQULLSMPBLM-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone (CID 116685057) is 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone is CC1COCC(CC(=O)c2cccc(F)c2)N1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
The InChIKey is JKXRQULLSMPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-7-17-8-12(15-9)6-13(16)10-3-2-4-11(14)5-10/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone?
1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone has a molecular weight of 237.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(5-methylmorpholin-3-yl)ethanone is sourced from PubChem (CID 116685057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).