2-(4,6-difluoro-1-benzofuran-2-yl)morpholine

C12H11F2NO2 — CID 84799470

IUPAC2-(4,6-difluoro-1-benzofuran-2-yl)morpholine
SMILESFc1cc(F)c2cc(C3CNCCO3)oc2c1
InChIInChI=1S/C12H11F2NO2/c13-7-3-9(14)8-5-11(17-10(8)4-7)12-6-15-1-2-16-12/h3-5,12,15H,1-2,6H2
InChIKeyVHFFEWBZLCKKAY-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.37
Rot. Bonds1

About 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine

2-(4,6-difluoro-1-benzofuran-2-yl)morpholine (PubChem CID 84799470) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine.

Molecular Properties

Compound Name2-(4,6-difluoro-1-benzofuran-2-yl)morpholine
PubChem CID84799470
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name2-(4,6-difluoro-1-benzofuran-2-yl)morpholine
SMILESFc1cc(F)c2cc(C3CNCCO3)oc2c1
InChIInChI=1S/C12H11F2NO2/c13-7-3-9(14)8-5-11(17-10(8)4-7)12-6-15-1-2-16-12/h3-5,12,15H,1-2,6H2
InChIKeyVHFFEWBZLCKKAY-UHFFFAOYSA-N
XLogP2.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine?
The IUPAC name of 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine (CID 84799470) is 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine.
What is the SMILES notation for 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine?
The canonical SMILES for 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine is Fc1cc(F)c2cc(C3CNCCO3)oc2c1.
What is the InChIKey of 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine?
The InChIKey is VHFFEWBZLCKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c13-7-3-9(14)8-5-11(17-10(8)4-7)12-6-15-1-2-16-12/h3-5,12,15H,1-2,6H2.
What are the key properties of 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine?
2-(4,6-difluoro-1-benzofuran-2-yl)morpholine has a molecular weight of 239.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1-benzofuran-2-yl)morpholine is sourced from PubChem (CID 84799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).