5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine

C17H17BrFNO — CID 82959501

IUPAC5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine
SMILESFc1cc(Br)ccc1C1CNC(Cc2ccccc2)CO1
InChIInChI=1S/C17H17BrFNO/c18-13-6-7-15(16(19)9-13)17-10-20-14(11-21-17)8-12-4-2-1-3-5-12/h1-7,9,14,17,20H,8,10-11H2
InChIKeyCYFIWVAJSFJMTR-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.86
Rot. Bonds3

About 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine

5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine (PubChem CID 82959501) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine.

Molecular Properties

Compound Name5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine
PubChem CID82959501
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine
SMILESFc1cc(Br)ccc1C1CNC(Cc2ccccc2)CO1
InChIInChI=1S/C17H17BrFNO/c18-13-6-7-15(16(19)9-13)17-10-20-14(11-21-17)8-12-4-2-1-3-5-12/h1-7,9,14,17,20H,8,10-11H2
InChIKeyCYFIWVAJSFJMTR-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine?
The IUPAC name of 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine (CID 82959501) is 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine.
What is the SMILES notation for 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine?
The canonical SMILES for 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine is Fc1cc(Br)ccc1C1CNC(Cc2ccccc2)CO1.
What is the InChIKey of 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine?
The InChIKey is CYFIWVAJSFJMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-13-6-7-15(16(19)9-13)17-10-20-14(11-21-17)8-12-4-2-1-3-5-12/h1-7,9,14,17,20H,8,10-11H2.
What are the key properties of 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine?
5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine has a molecular weight of 350.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-bromo-2-fluorophenyl)morpholine is sourced from PubChem (CID 82959501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).