4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one

C11H11BrFNO2 — CID 67112255

IUPAC4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CBr)c1
InChIInChI=1S/C11H11BrFNO2/c12-6-8-3-9(13)5-10(4-8)14-1-2-16-7-11(14)15/h3-5H,1-2,6-7H2
InChIKeyKMXUHIMARZCDDM-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.08
Rot. Bonds2

About 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one

4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one (PubChem CID 67112255) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one
PubChem CID67112255
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CBr)c1
InChIInChI=1S/C11H11BrFNO2/c12-6-8-3-9(13)5-10(4-8)14-1-2-16-7-11(14)15/h3-5H,1-2,6-7H2
InChIKeyKMXUHIMARZCDDM-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one?
The IUPAC name of 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one (CID 67112255) is 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one?
The canonical SMILES for 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one is O=C1COCCN1c1cc(F)cc(CBr)c1.
What is the InChIKey of 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one?
The InChIKey is KMXUHIMARZCDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-6-8-3-9(13)5-10(4-8)14-1-2-16-7-11(14)15/h3-5H,1-2,6-7H2.
What are the key properties of 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one?
4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one has a molecular weight of 288.12 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(bromomethyl)-5-fluorophenyl]morpholin-3-one is sourced from PubChem (CID 67112255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).