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

C11H13BrFNO — CID 83558060

IUPAC3-(5-bromo-2-fluorophenyl)-3-methylmorpholine
SMILESCC1(c2cc(Br)ccc2F)COCCN1
InChIInChI=1S/C11H13BrFNO/c1-11(7-15-5-4-14-11)9-6-8(12)2-3-10(9)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyPWGJSDOUEXSGID-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.42
Rot. Bonds1

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

3-(5-bromo-2-fluorophenyl)-3-methylmorpholine (PubChem CID 83558060) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-3-methylmorpholine
PubChem CID83558060
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-(5-bromo-2-fluorophenyl)-3-methylmorpholine
SMILESCC1(c2cc(Br)ccc2F)COCCN1
InChIInChI=1S/C11H13BrFNO/c1-11(7-15-5-4-14-11)9-6-8(12)2-3-10(9)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyPWGJSDOUEXSGID-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine (CID 83558060) is 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine is CC1(c2cc(Br)ccc2F)COCCN1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine?
The InChIKey is PWGJSDOUEXSGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(7-15-5-4-14-11)9-6-8(12)2-3-10(9)13/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine?
3-(5-bromo-2-fluorophenyl)-3-methylmorpholine has a molecular weight of 274.13 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-3-methylmorpholine is sourced from PubChem (CID 83558060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).