[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid

C13H11BF2O3 — CID 105404414

IUPAC[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
SMILESOB(O)c1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11BF2O3/c15-11-4-9(5-12(16)7-11)8-19-13-3-1-2-10(6-13)14(17)18/h1-7,17-18H,8H2
InChIKeyRVKKXVDMXBZYEO-UHFFFAOYSA-N
MW264.04 g/mol
LogP1.22
Rot. Bonds4

About [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid

[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid (PubChem CID 105404414) has the molecular formula C13H11BF2O3 and a molecular weight of 264.04 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
PubChem CID105404414
Molecular FormulaC13H11BF2O3
Molecular Weight264.04 g/mol
Exact Mass264.08
IUPAC Name[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
SMILESOB(O)c1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11BF2O3/c15-11-4-9(5-12(16)7-11)8-19-13-3-1-2-10(6-13)14(17)18/h1-7,17-18H,8H2
InChIKeyRVKKXVDMXBZYEO-UHFFFAOYSA-N
XLogP1.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[3-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 79700938
[3-fluoro-5-[(3-propan-2-ylphenoxy)methyl]phenyl]boronic acid
CID 79700727
[3-[[3-(hydroxymethyl)-5-methoxyphenyl]methoxy]phenyl]boronic acid
CID 123997809
[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
CID 114346391
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
[3-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 63984221
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
[3-[(2,3-difluorophenoxy)methyl]-5-fluorophenyl]boronic acid
CID 79706860
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid?
The IUPAC name of [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid (CID 105404414) is [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid?
The canonical SMILES for [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid is OB(O)c1cccc(OCc2cc(F)cc(F)c2)c1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid?
The InChIKey is RVKKXVDMXBZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BF2O3/c15-11-4-9(5-12(16)7-11)8-19-13-3-1-2-10(6-13)14(17)18/h1-7,17-18H,8H2.
What are the key properties of [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid?
[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid has a molecular weight of 264.04 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 105404414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).