(5-fluoro-2,4-dimethoxyphenyl)boronic acid

C8H10BFO4 — CID 164893901

IUPAC(5-fluoro-2,4-dimethoxyphenyl)boronic acid
SMILESCOc1cc(OC)c(B(O)O)cc1F
InChIInChI=1S/C8H10BFO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4,11-12H,1-2H3
InChIKeyZNONBDHANICIQE-UHFFFAOYSA-N
MW199.97 g/mol
LogP-0.48
Rot. Bonds3

About (5-fluoro-2,4-dimethoxyphenyl)boronic acid

(5-fluoro-2,4-dimethoxyphenyl)boronic acid (PubChem CID 164893901) has the molecular formula C8H10BFO4 and a molecular weight of 199.97 g/mol. Its IUPAC name is (5-fluoro-2,4-dimethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(5-fluoro-2,4-dimethoxyphenyl)boronic acid
PubChem CID164893901
Molecular FormulaC8H10BFO4
Molecular Weight199.97 g/mol
Exact Mass200.07
IUPAC Name(5-fluoro-2,4-dimethoxyphenyl)boronic acid
SMILESCOc1cc(OC)c(B(O)O)cc1F
InChIInChI=1S/C8H10BFO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4,11-12H,1-2H3
InChIKeyZNONBDHANICIQE-UHFFFAOYSA-N
XLogP-0.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 5-0.48
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

(2-chloro-4-fluoro-5-methoxyphenyl)boronic acid;ethane
CID 177217890
2,5-difluoro-4-methoxyaniline
CID 45090681
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
(4-fluoro-2-methoxy-5-prop-2-enylphenyl)boronic acid
CID 67984232
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]boronic acid
CID 123470672
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
[2-fluoro-4-(hydroxymethyl)-5-methoxyphenyl]boronic acid
CID 166595196
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dimethoxyphenyl)boronic acid?
The IUPAC name of (5-fluoro-2,4-dimethoxyphenyl)boronic acid (CID 164893901) is (5-fluoro-2,4-dimethoxyphenyl)boronic acid.
What is the SMILES notation for (5-fluoro-2,4-dimethoxyphenyl)boronic acid?
The canonical SMILES for (5-fluoro-2,4-dimethoxyphenyl)boronic acid is COc1cc(OC)c(B(O)O)cc1F.
What is the InChIKey of (5-fluoro-2,4-dimethoxyphenyl)boronic acid?
The InChIKey is ZNONBDHANICIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4,11-12H,1-2H3.
What are the key properties of (5-fluoro-2,4-dimethoxyphenyl)boronic acid?
(5-fluoro-2,4-dimethoxyphenyl)boronic acid has a molecular weight of 199.97 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dimethoxyphenyl)boronic acid is sourced from PubChem (CID 164893901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).