2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane

C11H13BFIO3 — CID 24965570

IUPAC2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane
SMILESFc1ccc(I)c(COB2OCCCCO2)c1
InChIInChI=1S/C11H13BFIO3/c13-10-3-4-11(14)9(7-10)8-17-12-15-5-1-2-6-16-12/h3-4,7H,1-2,5-6,8H2
InChIKeySCWBLFWWWFBQAJ-UHFFFAOYSA-N
MW349.94 g/mol
LogP2.76
Rot. Bonds3

About 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane

2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane (PubChem CID 24965570) has the molecular formula C11H13BFIO3 and a molecular weight of 349.94 g/mol. Its IUPAC name is 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane.

Molecular Properties

Compound Name2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane
PubChem CID24965570
Molecular FormulaC11H13BFIO3
Molecular Weight349.94 g/mol
Exact Mass350.00
IUPAC Name2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane
SMILESFc1ccc(I)c(COB2OCCCCO2)c1
InChIInChI=1S/C11H13BFIO3/c13-10-3-4-11(14)9(7-10)8-17-12-15-5-1-2-6-16-12/h3-4,7H,1-2,5-6,8H2
InChIKeySCWBLFWWWFBQAJ-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.94
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane?
The IUPAC name of 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane (CID 24965570) is 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane.
What is the SMILES notation for 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane?
The canonical SMILES for 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane is Fc1ccc(I)c(COB2OCCCCO2)c1.
What is the InChIKey of 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane?
The InChIKey is SCWBLFWWWFBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BFIO3/c13-10-3-4-11(14)9(7-10)8-17-12-15-5-1-2-6-16-12/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane?
2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane has a molecular weight of 349.94 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-iodophenyl)methoxy]-1,3,2-dioxaborepane is sourced from PubChem (CID 24965570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).