4-[(5-bromo-2-fluorophenyl)methyl]morpholine

C11H13BrFNO — CID 22285325

IUPAC4-[(5-bromo-2-fluorophenyl)methyl]morpholine
SMILESFc1ccc(Br)cc1CN1CCOCC1
InChIInChI=1S/C11H13BrFNO/c12-10-1-2-11(13)9(7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyLHWHXDWETOZZBT-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds2

About 4-[(5-bromo-2-fluorophenyl)methyl]morpholine

4-[(5-bromo-2-fluorophenyl)methyl]morpholine (PubChem CID 22285325) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-[(5-bromo-2-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-bromo-2-fluorophenyl)methyl]morpholine
PubChem CID22285325
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-[(5-bromo-2-fluorophenyl)methyl]morpholine
SMILESFc1ccc(Br)cc1CN1CCOCC1
InChIInChI=1S/C11H13BrFNO/c12-10-1-2-11(13)9(7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyLHWHXDWETOZZBT-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-fluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(5-bromo-2-fluorophenyl)methyl]morpholine (CID 22285325) is 4-[(5-bromo-2-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(5-bromo-2-fluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(5-bromo-2-fluorophenyl)methyl]morpholine is Fc1ccc(Br)cc1CN1CCOCC1.
What is the InChIKey of 4-[(5-bromo-2-fluorophenyl)methyl]morpholine?
The InChIKey is LHWHXDWETOZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-1-2-11(13)9(7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(5-bromo-2-fluorophenyl)methyl]morpholine?
4-[(5-bromo-2-fluorophenyl)methyl]morpholine has a molecular weight of 274.13 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 22285325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).