(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one

C11H13FN2O2 — CID 58155273

IUPAC(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESC[C@@]1(c2cc(N)ccc2F)COCC(=O)N1
InChIInChI=1S/C11H13FN2O2/c1-11(6-16-5-10(15)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyFADINWBEHZKOSH-NSHDSACASA-N
MW224.23 g/mol
LogP0.77
Rot. Bonds1

About (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one

(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one (PubChem CID 58155273) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one
PubChem CID58155273
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESC[C@@]1(c2cc(N)ccc2F)COCC(=O)N1
InChIInChI=1S/C11H13FN2O2/c1-11(6-16-5-10(15)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyFADINWBEHZKOSH-NSHDSACASA-N
XLogP0.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
The IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one (CID 58155273) is (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one.
What is the SMILES notation for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
The canonical SMILES for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one is C[C@@]1(c2cc(N)ccc2F)COCC(=O)N1.
What is the InChIKey of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
The InChIKey is FADINWBEHZKOSH-NSHDSACASA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-11(6-16-5-10(15)14-11)8-4-7(13)2-3-9(8)12/h2-4H,5-6,13H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one?
(5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one has a molecular weight of 224.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-amino-2-fluorophenyl)-5-methylmorpholin-3-one is sourced from PubChem (CID 58155273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).