1-(4-fluorophenyl)ethenylboronic acid

C8H8BFO2 — CID 21099511

IUPAC1-(4-fluorophenyl)ethenylboronic acid
SMILESC=C(B(O)O)c1ccc(F)cc1
InChIInChI=1S/C8H8BFO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,11-12H,1H2
InChIKeyBTFCIZFCUVLOMW-UHFFFAOYSA-N
MW165.96 g/mol
LogP0.85
Rot. Bonds2

About 1-(4-fluorophenyl)ethenylboronic acid

1-(4-fluorophenyl)ethenylboronic acid (PubChem CID 21099511) has the molecular formula C8H8BFO2 and a molecular weight of 165.96 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethenylboronic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethenylboronic acid
PubChem CID21099511
Molecular FormulaC8H8BFO2
Molecular Weight165.96 g/mol
Exact Mass166.06
IUPAC Name1-(4-fluorophenyl)ethenylboronic acid
SMILESC=C(B(O)O)c1ccc(F)cc1
InChIInChI=1S/C8H8BFO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,11-12H,1H2
InChIKeyBTFCIZFCUVLOMW-UHFFFAOYSA-N
XLogP0.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.96
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)ethenylsilane
CID 175020263
1-fluoro-4-[1-[1-(4-fluorophenyl)ethenoxy]ethenyl]benzene
CID 70394045
1-(4-fluorophenyl)ethenyl-hexoxyborinic acid
CID 175798712
1-[4-(4-fluorophenyl)phenyl]ethenol
CID 143634078
1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
1-(3-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 11694212
1-(4-fluorophenyl)ethenylhydrazine
CID 70318668
1-(4-fluorophenyl)-N,N-dimethylethenamine
CID 54285953
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
1,4-difluorobenzene bromide
CID 21301175
1-(4-fluorophenyl)ethenoxy-trimethylsilane
CID 10398215
N-[fluoro(methoxy)methyl]-1-(4-fluorophenyl)ethenamine
CID 154961784

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethenylboronic acid?
The IUPAC name of 1-(4-fluorophenyl)ethenylboronic acid (CID 21099511) is 1-(4-fluorophenyl)ethenylboronic acid.
What is the SMILES notation for 1-(4-fluorophenyl)ethenylboronic acid?
The canonical SMILES for 1-(4-fluorophenyl)ethenylboronic acid is C=C(B(O)O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethenylboronic acid?
The InChIKey is BTFCIZFCUVLOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BFO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,11-12H,1H2.
What are the key properties of 1-(4-fluorophenyl)ethenylboronic acid?
1-(4-fluorophenyl)ethenylboronic acid has a molecular weight of 165.96 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethenylboronic acid is sourced from PubChem (CID 21099511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).