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

C13H17BrFNO — CID 82970266

IUPAC2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine
SMILESCCC1(C)COC(c2ccc(Br)cc2F)CN1
InChIInChI=1S/C13H17BrFNO/c1-3-13(2)8-17-12(7-16-13)10-5-4-9(14)6-11(10)15/h4-6,12,16H,3,7-8H2,1-2H3
InChIKeyHKUDDGDRQCSQES-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.42
Rot. Bonds2

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

2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine (PubChem CID 82970266) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine
PubChem CID82970266
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine
SMILESCCC1(C)COC(c2ccc(Br)cc2F)CN1
InChIInChI=1S/C13H17BrFNO/c1-3-13(2)8-17-12(7-16-13)10-5-4-9(14)6-11(10)15/h4-6,12,16H,3,7-8H2,1-2H3
InChIKeyHKUDDGDRQCSQES-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine (CID 82970266) is 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine is CCC1(C)COC(c2ccc(Br)cc2F)CN1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine?
The InChIKey is HKUDDGDRQCSQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-3-13(2)8-17-12(7-16-13)10-5-4-9(14)6-11(10)15/h4-6,12,16H,3,7-8H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine?
2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine has a molecular weight of 302.19 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-5-ethyl-5-methylmorpholine is sourced from PubChem (CID 82970266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).