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

C16H15BrFNO — CID 63184075

IUPAC2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine
SMILESFc1ccc(C2CNC(c3ccccc3)CO2)cc1Br
InChIInChI=1S/C16H15BrFNO/c17-13-8-12(6-7-14(13)18)16-9-19-15(10-20-16)11-4-2-1-3-5-11/h1-8,15-16,19H,9-10H2
InChIKeyYYNNXHAZGCXHHB-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.99
Rot. Bonds2

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

2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine (PubChem CID 63184075) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine
PubChem CID63184075
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine
SMILESFc1ccc(C2CNC(c3ccccc3)CO2)cc1Br
InChIInChI=1S/C16H15BrFNO/c17-13-8-12(6-7-14(13)18)16-9-19-15(10-20-16)11-4-2-1-3-5-11/h1-8,15-16,19H,9-10H2
InChIKeyYYNNXHAZGCXHHB-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.99
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-phenylmorpholine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine (CID 63184075) is 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine is Fc1ccc(C2CNC(c3ccccc3)CO2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine?
The InChIKey is YYNNXHAZGCXHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-13-8-12(6-7-14(13)18)16-9-19-15(10-20-16)11-4-2-1-3-5-11/h1-8,15-16,19H,9-10H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine?
2-(3-bromo-4-fluorophenyl)-5-phenylmorpholine has a molecular weight of 336.20 g/mol, XLogP of 3.99, 2 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-phenylmorpholine is sourced from PubChem (CID 63184075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).