(3,4-diethoxy-5-fluorophenyl)boronic acid

C10H14BFO4 — CID 164894924

IUPAC(3,4-diethoxy-5-fluorophenyl)boronic acid
SMILESCCOc1cc(B(O)O)cc(F)c1OCC
InChIInChI=1S/C10H14BFO4/c1-3-15-9-6-7(11(13)14)5-8(12)10(9)16-4-2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyFJYOLNXGTXLNCT-UHFFFAOYSA-N
MW228.03 g/mol
LogP0.30
Rot. Bonds5

About (3,4-diethoxy-5-fluorophenyl)boronic acid

(3,4-diethoxy-5-fluorophenyl)boronic acid (PubChem CID 164894924) has the molecular formula C10H14BFO4 and a molecular weight of 228.03 g/mol. Its IUPAC name is (3,4-diethoxy-5-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(3,4-diethoxy-5-fluorophenyl)boronic acid
PubChem CID164894924
Molecular FormulaC10H14BFO4
Molecular Weight228.03 g/mol
Exact Mass228.10
IUPAC Name(3,4-diethoxy-5-fluorophenyl)boronic acid
SMILESCCOc1cc(B(O)O)cc(F)c1OCC
InChIInChI=1S/C10H14BFO4/c1-3-15-9-6-7(11(13)14)5-8(12)10(9)16-4-2/h5-6,13-14H,3-4H2,1-2H3
InChIKeyFJYOLNXGTXLNCT-UHFFFAOYSA-N
XLogP0.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
CID 164891882
(3-ethoxy-4-fluoro-5-methylsulfanylphenyl)boronic acid
CID 164891608
(3-chloro-5-ethoxy-4-propoxyphenyl)boronic acid
CID 74889354
(3-chloro-5-ethoxy-4-propan-2-yloxyphenyl)boronic acid
CID 56776635
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
[4-(difluoromethoxy)-3-fluoro-5-methoxyphenyl]boronic acid
CID 164894423
(3-ethoxy-4-ethylphenyl)boronic acid
CID 170999917
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
3,4,5-triethoxyphenol
CID 19754898
(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid
CID 164896102
2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxy-5-fluorophenyl)boronic acid?
The IUPAC name of (3,4-diethoxy-5-fluorophenyl)boronic acid (CID 164894924) is (3,4-diethoxy-5-fluorophenyl)boronic acid.
What is the SMILES notation for (3,4-diethoxy-5-fluorophenyl)boronic acid?
The canonical SMILES for (3,4-diethoxy-5-fluorophenyl)boronic acid is CCOc1cc(B(O)O)cc(F)c1OCC.
What is the InChIKey of (3,4-diethoxy-5-fluorophenyl)boronic acid?
The InChIKey is FJYOLNXGTXLNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFO4/c1-3-15-9-6-7(11(13)14)5-8(12)10(9)16-4-2/h5-6,13-14H,3-4H2,1-2H3.
What are the key properties of (3,4-diethoxy-5-fluorophenyl)boronic acid?
(3,4-diethoxy-5-fluorophenyl)boronic acid has a molecular weight of 228.03 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxy-5-fluorophenyl)boronic acid is sourced from PubChem (CID 164894924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).