(4-fluoro-3-methoxyphenyl)boronic acid

C7H8BFO3 — CID 44558185

IUPAC(4-fluoro-3-methoxyphenyl)boronic acid
SMILESCOc1cc(B(O)O)ccc1F
InChIInChI=1S/C7H8BFO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChIKeyLUJMSRVFSBMEOY-UHFFFAOYSA-N
MW169.95 g/mol
LogP-0.49
Rot. Bonds2

About (4-fluoro-3-methoxyphenyl)boronic acid

(4-fluoro-3-methoxyphenyl)boronic acid (PubChem CID 44558185) has the molecular formula C7H8BFO3 and a molecular weight of 169.95 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)boronic acid
PubChem CID44558185
Molecular FormulaC7H8BFO3
Molecular Weight169.95 g/mol
Exact Mass170.06
IUPAC Name(4-fluoro-3-methoxyphenyl)boronic acid
SMILESCOc1cc(B(O)O)ccc1F
InChIInChI=1S/C7H8BFO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3
InChIKeyLUJMSRVFSBMEOY-UHFFFAOYSA-N
XLogP-0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.95
LogP ≤ 5-0.49
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-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
(4-fluoro-3-methoxyphenyl)-dimethoxyborane
CID 174824677
(4-fluoro-3-pentan-3-yloxyphenyl)boronic acid
CID 114674666
(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
CID 114674548
(3-borono-4-fluorophenyl)boronic acid
CID 150550580
[3-[(3,4-dimethylphenyl)methoxy]-4-fluorophenyl]boronic acid
CID 114674618
(4-fluoro-3-prop-2-enoxyphenyl)boronic acid
CID 114674576
[4-fluoro-3-(2-methylidenebutoxy)phenyl]boronic acid
CID 114674680
[4-[[(4-fluoro-3-methoxyphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923740
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
(3-acetyloxy-4-methoxyphenyl)boronic acid
CID 119084154

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)boronic acid?
The IUPAC name of (4-fluoro-3-methoxyphenyl)boronic acid (CID 44558185) is (4-fluoro-3-methoxyphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)boronic acid?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)boronic acid is COc1cc(B(O)O)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)boronic acid?
The InChIKey is LUJMSRVFSBMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)boronic acid?
(4-fluoro-3-methoxyphenyl)boronic acid has a molecular weight of 169.95 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)boronic acid is sourced from PubChem (CID 44558185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).