4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one

C13H16FNO3 — CID 69004097

IUPAC4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one
SMILESCC1CN([C@@H](C)c2ccc(F)cc2)C(=O)C(O)O1
InChIInChI=1S/C13H16FNO3/c1-8-7-15(12(16)13(17)18-8)9(2)10-3-5-11(14)6-4-10/h3-6,8-9,13,17H,7H2,1-2H3/t8?,9-,13?/m0/s1
InChIKeyRXUZXQSWNZCZET-JVVWGOMOSA-N
MW253.27 g/mol
LogP1.45
Rot. Bonds2

About 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one

4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one (PubChem CID 69004097) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one.

Molecular Properties

Compound Name4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one
PubChem CID69004097
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one
SMILESCC1CN([C@@H](C)c2ccc(F)cc2)C(=O)C(O)O1
InChIInChI=1S/C13H16FNO3/c1-8-7-15(12(16)13(17)18-8)9(2)10-3-5-11(14)6-4-10/h3-6,8-9,13,17H,7H2,1-2H3/t8?,9-,13?/m0/s1
InChIKeyRXUZXQSWNZCZET-JVVWGOMOSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one?
The IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one (CID 69004097) is 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one.
What is the SMILES notation for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one?
The canonical SMILES for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one is CC1CN([C@@H](C)c2ccc(F)cc2)C(=O)C(O)O1.
What is the InChIKey of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one?
The InChIKey is RXUZXQSWNZCZET-JVVWGOMOSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8-7-15(12(16)13(17)18-8)9(2)10-3-5-11(14)6-4-10/h3-6,8-9,13,17H,7H2,1-2H3/t8?,9-,13?/m0/s1.
What are the key properties of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one?
4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one has a molecular weight of 253.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one is sourced from PubChem (CID 69004097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).