(3-fluoro-4-morpholin-4-ylphenoxy)boronic acid

C10H13BFNO4 — CID 54462275

IUPAC(3-fluoro-4-morpholin-4-ylphenoxy)boronic acid
SMILESOB(O)Oc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C10H13BFNO4/c12-9-7-8(17-11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2
InChIKeyXCKVUKQBPCWUKS-UHFFFAOYSA-N
MW241.03 g/mol
LogP0.01
Rot. Bonds3

About (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid

(3-fluoro-4-morpholin-4-ylphenoxy)boronic acid (PubChem CID 54462275) has the molecular formula C10H13BFNO4 and a molecular weight of 241.03 g/mol. Its IUPAC name is (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid.

Molecular Properties

Compound Name(3-fluoro-4-morpholin-4-ylphenoxy)boronic acid
PubChem CID54462275
Molecular FormulaC10H13BFNO4
Molecular Weight241.03 g/mol
Exact Mass241.09
IUPAC Name(3-fluoro-4-morpholin-4-ylphenoxy)boronic acid
SMILESOB(O)Oc1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C10H13BFNO4/c12-9-7-8(17-11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2
InChIKeyXCKVUKQBPCWUKS-UHFFFAOYSA-N
XLogP0.01
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid?
The IUPAC name of (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid (CID 54462275) is (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid.
What is the SMILES notation for (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid?
The canonical SMILES for (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid is OB(O)Oc1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid?
The InChIKey is XCKVUKQBPCWUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFNO4/c12-9-7-8(17-11(14)15)1-2-10(9)13-3-5-16-6-4-13/h1-2,7,14-15H,3-6H2.
What are the key properties of (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid?
(3-fluoro-4-morpholin-4-ylphenoxy)boronic acid has a molecular weight of 241.03 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-morpholin-4-ylphenoxy)boronic acid is sourced from PubChem (CID 54462275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).