2-(3-bromo-4-fluorophenyl)-5-methylmorpholine

C11H13BrFNO — CID 62913908

IUPAC2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
SMILESCC1COC(c2ccc(F)c(Br)c2)CN1
InChIInChI=1S/C11H13BrFNO/c1-7-6-15-11(5-14-7)8-2-3-10(13)9(12)4-8/h2-4,7,11,14H,5-6H2,1H3
InChIKeyGXZUNNDQAQCPFG-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.64
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine

2-(3-bromo-4-fluorophenyl)-5-methylmorpholine (PubChem CID 62913908) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
PubChem CID62913908
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
SMILESCC1COC(c2ccc(F)c(Br)c2)CN1
InChIInChI=1S/C11H13BrFNO/c1-7-6-15-11(5-14-7)8-2-3-10(13)9(12)4-8/h2-4,7,11,14H,5-6H2,1H3
InChIKeyGXZUNNDQAQCPFG-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine (CID 62913908) is 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine is CC1COC(c2ccc(F)c(Br)c2)CN1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine?
The InChIKey is GXZUNNDQAQCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-7-6-15-11(5-14-7)8-2-3-10(13)9(12)4-8/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine?
2-(3-bromo-4-fluorophenyl)-5-methylmorpholine has a molecular weight of 274.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-5-methylmorpholine is sourced from PubChem (CID 62913908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).