4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine

C11H13BFNO3 — CID 155528617

IUPAC4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine
SMILESOB1OC(N2CCOCC2)c2cc(F)ccc21
InChIInChI=1S/C11H13BFNO3/c13-8-1-2-10-9(7-8)11(17-12(10)15)14-3-5-16-6-4-14/h1-2,7,11,15H,3-6H2
InChIKeyKLNBYJKZKQFXRN-UHFFFAOYSA-N
MW237.04 g/mol
LogP-0.13
Rot. Bonds1

About 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine

4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine (PubChem CID 155528617) has the molecular formula C11H13BFNO3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine
PubChem CID155528617
Molecular FormulaC11H13BFNO3
Molecular Weight237.04 g/mol
Exact Mass237.10
IUPAC Name4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine
SMILESOB1OC(N2CCOCC2)c2cc(F)ccc21
InChIInChI=1S/C11H13BFNO3/c13-8-1-2-10-9(7-8)11(17-12(10)15)14-3-5-16-6-4-14/h1-2,7,11,15H,3-6H2
InChIKeyKLNBYJKZKQFXRN-UHFFFAOYSA-N
XLogP-0.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine?
The IUPAC name of 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine (CID 155528617) is 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine.
What is the SMILES notation for 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine?
The canonical SMILES for 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine is OB1OC(N2CCOCC2)c2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine?
The InChIKey is KLNBYJKZKQFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BFNO3/c13-8-1-2-10-9(7-8)11(17-12(10)15)14-3-5-16-6-4-14/h1-2,7,11,15H,3-6H2.
What are the key properties of 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine?
4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine has a molecular weight of 237.04 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-hydroxy-3H-2,1-benzoxaborol-3-yl)morpholine is sourced from PubChem (CID 155528617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).