2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine

C14H19BrFNO — CID 62914274

IUPAC2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine
SMILESCCC1(CC)COC(c2ccc(F)c(Br)c2)CN1
InChIInChI=1S/C14H19BrFNO/c1-3-14(4-2)9-18-13(8-17-14)10-5-6-12(16)11(15)7-10/h5-7,13,17H,3-4,8-9H2,1-2H3
InChIKeyOIBWRGNHSHKJAL-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.81
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine

2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine (PubChem CID 62914274) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine
PubChem CID62914274
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine
SMILESCCC1(CC)COC(c2ccc(F)c(Br)c2)CN1
InChIInChI=1S/C14H19BrFNO/c1-3-14(4-2)9-18-13(8-17-14)10-5-6-12(16)11(15)7-10/h5-7,13,17H,3-4,8-9H2,1-2H3
InChIKeyOIBWRGNHSHKJAL-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.81
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)-5,5-diethylmorpholine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine (CID 62914274) is 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine is CCC1(CC)COC(c2ccc(F)c(Br)c2)CN1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine?
The InChIKey is OIBWRGNHSHKJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-3-14(4-2)9-18-13(8-17-14)10-5-6-12(16)11(15)7-10/h5-7,13,17H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine?
2-(3-bromo-4-fluorophenyl)-5,5-diethylmorpholine has a molecular weight of 316.21 g/mol, XLogP of 3.81, 3 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)-5,5-diethylmorpholine is sourced from PubChem (CID 62914274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).