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

C13H13BrFNO2 — CID 58155298

IUPAC5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one
SMILESO=C1COCC(c2cc(Br)ccc2F)(C2CC2)N1
InChIInChI=1S/C13H13BrFNO2/c14-9-3-4-11(15)10(5-9)13(8-1-2-8)7-18-6-12(17)16-13/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeySZPLMNHKROJLIU-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.34
Rot. Bonds2

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

5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one (PubChem CID 58155298) has the molecular formula C13H13BrFNO2 and a molecular weight of 314.15 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one
PubChem CID58155298
Molecular FormulaC13H13BrFNO2
Molecular Weight314.15 g/mol
Exact Mass313.01
IUPAC Name5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one
SMILESO=C1COCC(c2cc(Br)ccc2F)(C2CC2)N1
InChIInChI=1S/C13H13BrFNO2/c14-9-3-4-11(15)10(5-9)13(8-1-2-8)7-18-6-12(17)16-13/h3-5,8H,1-2,6-7H2,(H,16,17)
InChIKeySZPLMNHKROJLIU-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.34
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-cyclopropylmorpholin-3-one?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one (CID 58155298) is 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one is O=C1COCC(c2cc(Br)ccc2F)(C2CC2)N1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one?
The InChIKey is SZPLMNHKROJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2/c14-9-3-4-11(15)10(5-9)13(8-1-2-8)7-18-6-12(17)16-13/h3-5,8H,1-2,6-7H2,(H,16,17).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one?
5-(5-bromo-2-fluorophenyl)-5-cyclopropylmorpholin-3-one has a molecular weight of 314.15 g/mol, XLogP of 2.34, 2 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-cyclopropylmorpholin-3-one is sourced from PubChem (CID 58155298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).