5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one

C11H11BrFNO2 — CID 58155262

IUPAC5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESCC1(c2cc(Br)ccc2F)COCC(=O)N1
InChIInChI=1S/C11H11BrFNO2/c1-11(6-16-5-10(15)14-11)8-4-7(12)2-3-9(8)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyNQWGLTCQNJPJQY-UHFFFAOYSA-N
MW288.12 g/mol
LogP1.95
Rot. Bonds1

About 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one

5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one (PubChem CID 58155262) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
PubChem CID58155262
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one
SMILESCC1(c2cc(Br)ccc2F)COCC(=O)N1
InChIInChI=1S/C11H11BrFNO2/c1-11(6-16-5-10(15)14-11)8-4-7(12)2-3-9(8)13/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyNQWGLTCQNJPJQY-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one (CID 58155262) is 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one is CC1(c2cc(Br)ccc2F)COCC(=O)N1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
The InChIKey is NQWGLTCQNJPJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-11(6-16-5-10(15)14-11)8-4-7(12)2-3-9(8)13/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one?
5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one has a molecular weight of 288.12 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-5-methylmorpholin-3-one is sourced from PubChem (CID 58155262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).