[3-(fluoromethoxy)phenoxy]boronic acid

C7H8BFO4 — CID 142763366

IUPAC[3-(fluoromethoxy)phenoxy]boronic acid
SMILESOB(O)Oc1cccc(OCF)c1
InChIInChI=1S/C7H8BFO4/c9-5-12-6-2-1-3-7(4-6)13-8(10)11/h1-4,10-11H,5H2
InChIKeySRHWXZXGDXYBNG-UHFFFAOYSA-N
MW185.95 g/mol
LogP0.34
Rot. Bonds4

About [3-(fluoromethoxy)phenoxy]boronic acid

[3-(fluoromethoxy)phenoxy]boronic acid (PubChem CID 142763366) has the molecular formula C7H8BFO4 and a molecular weight of 185.95 g/mol. Its IUPAC name is [3-(fluoromethoxy)phenoxy]boronic acid.

Molecular Properties

Compound Name[3-(fluoromethoxy)phenoxy]boronic acid
PubChem CID142763366
Molecular FormulaC7H8BFO4
Molecular Weight185.95 g/mol
Exact Mass186.05
IUPAC Name[3-(fluoromethoxy)phenoxy]boronic acid
SMILESOB(O)Oc1cccc(OCF)c1
InChIInChI=1S/C7H8BFO4/c9-5-12-6-2-1-3-7(4-6)13-8(10)11/h1-4,10-11H,5H2
InChIKeySRHWXZXGDXYBNG-UHFFFAOYSA-N
XLogP0.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.95
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(fluoromethoxy)phenoxy]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-chlorophenyl)methoxy]phenoxy]boronic acid
CID 142764738
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
[3-(10-phenylanthracen-9-yl)phenoxy]boronic acid
CID 142728321
1-benzyl-3-(fluoromethoxy)benzene
CID 173286107
3-(fluoromethoxy)benzaldehyde
CID 22718686
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
(3-benzylsulfanylphenoxy)boronic acid
CID 142685074
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
CID 71163703
[3-(sulfanylmethoxy)phenoxy]methanethiol
CID 22238691
2-bromo-1,4-bis(fluoromethoxy)benzene
CID 150344358
(4-fluoro-3-hydroxyphenoxy)boronic acid
CID 142798928
[3-(2-cyanopropan-2-yl)phenoxy]boronic acid
CID 142760062

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethoxy)phenoxy]boronic acid?
The IUPAC name of [3-(fluoromethoxy)phenoxy]boronic acid (CID 142763366) is [3-(fluoromethoxy)phenoxy]boronic acid.
What is the SMILES notation for [3-(fluoromethoxy)phenoxy]boronic acid?
The canonical SMILES for [3-(fluoromethoxy)phenoxy]boronic acid is OB(O)Oc1cccc(OCF)c1.
What is the InChIKey of [3-(fluoromethoxy)phenoxy]boronic acid?
The InChIKey is SRHWXZXGDXYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO4/c9-5-12-6-2-1-3-7(4-6)13-8(10)11/h1-4,10-11H,5H2.
What are the key properties of [3-(fluoromethoxy)phenoxy]boronic acid?
[3-(fluoromethoxy)phenoxy]boronic acid has a molecular weight of 185.95 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethoxy)phenoxy]boronic acid is sourced from PubChem (CID 142763366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).