1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone

C13H16FNO2 — CID 51683134

IUPAC1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCOC[C@@H]1C
InChIInChI=1S/C13H16FNO2/c1-9-8-17-7-6-15(9)12-5-3-4-11(14)13(12)10(2)16/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1
InChIKeyZEDNIJVJYNZVIA-VIFPVBQESA-N
MW237.27 g/mol
LogP2.25
Rot. Bonds2

About 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone

1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone (PubChem CID 51683134) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone
PubChem CID51683134
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCOC[C@@H]1C
InChIInChI=1S/C13H16FNO2/c1-9-8-17-7-6-15(9)12-5-3-4-11(14)13(12)10(2)16/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1
InChIKeyZEDNIJVJYNZVIA-VIFPVBQESA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone (CID 51683134) is 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone is CC(=O)c1c(F)cccc1N1CCOC[C@@H]1C.
What is the InChIKey of 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone?
The InChIKey is ZEDNIJVJYNZVIA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-8-17-7-6-15(9)12-5-3-4-11(14)13(12)10(2)16/h3-5,9H,6-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone?
1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone has a molecular weight of 237.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 51683134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).