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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Related Compounds

N-[1-(3-bromophenyl)cyclopropyl]-2-ethoxyacetamide
CID 72004146
(5R)-5-(3-bromophenyl)-5-methylmorpholin-3-one
CID 60200872
3-(5-Bromo-2,4-difluorophenyl)-3-methylmorpholine-2,5-dione
CID 57495974
5-(5-Bromo-2,4-difluorophenyl)-6-hydroxy-5-methylmorpholin-3-one
CID 57495975
(2R,5S)-2-benzyl-5-(5-bromo-2-fluoro-phenyl)-5-methyl-morpholin-3-one
CID 58155180
(R)-5-(5-bromo-2-fluoro-phenyl)-5,6,6-trimethyl-morpholin-3-one
CID 58155211
4-(5-Bromo-2-fluorophenyl)-4-cyclopropyloxazolidin-2-one
CID 58155231
5-(5-Bromo-2-fluorophenyl)-5-methylmorpholin-3-one
CID 58155262
(R)-5-(5-bromo-2-fluoro-phenyl)-5-methyl-morpholin-3-one
CID 58155287
(1S,7R)-1-(5-bromo-2-fluorophenyl)-5-oxa-2-azabicyclo[5.1.0]octan-3-one
CID 58562923
(R)-3-(5-bromo-2-fluoro-phenyl)-3-methyl-[1,4]oxazepan-5-one
CID 58562938
(R)-5-(5-bromo-2-fluorophenyl)-6,6-difluoro-5,7,7-trimethyl-1,4-oxazepan-3-one
CID 58562968

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).