(3-fluoro-4-nonylphenyl)boronic acid

C15H24BFO2 — CID 66879918

IUPAC(3-fluoro-4-nonylphenyl)boronic acid
SMILESCCCCCCCCCc1ccc(B(O)O)cc1F
InChIInChI=1S/C15H24BFO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16(18)19)12-15(13)17/h10-12,18-19H,2-9H2,1H3
InChIKeyFPOKFJGFKNLSGX-UHFFFAOYSA-N
MW266.16 g/mol
LogP2.80
Rot. Bonds9

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

(3-fluoro-4-nonylphenyl)boronic acid (PubChem CID 66879918) has the molecular formula C15H24BFO2 and a molecular weight of 266.16 g/mol. Its IUPAC name is (3-fluoro-4-nonylphenyl)boronic acid.

Molecular Properties

Compound Name(3-fluoro-4-nonylphenyl)boronic acid
PubChem CID66879918
Molecular FormulaC15H24BFO2
Molecular Weight266.16 g/mol
Exact Mass266.19
IUPAC Name(3-fluoro-4-nonylphenyl)boronic acid
SMILESCCCCCCCCCc1ccc(B(O)O)cc1F
InChIInChI=1S/C15H24BFO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16(18)19)12-15(13)17/h10-12,18-19H,2-9H2,1H3
InChIKeyFPOKFJGFKNLSGX-UHFFFAOYSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-iodo-4-octylphenyl)boronic acid
CID 153325549
[3-fluoro-4-[[methyl(pentyl)amino]methyl]phenyl]boronic acid
CID 54970430
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2,4-difluoro-1-pentylbenzene
CID 20770613
(3-fluoro-4-nonylphenyl)methanol
CID 174919502
(2,5-difluoro-4-pentylphenyl)boronic acid
CID 54088623
3-fluoro-4-octylbenzenesulfonic acid
CID 87359696
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
[4-[[ethyl(propyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970862
(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
CID 141103230
1-fluoro-2-heptylbenzene
CID 20721019
(4-butoxycarbonyl-3-fluorophenyl)boronic acid
CID 156777150

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-nonylphenyl)boronic acid?
The IUPAC name of (3-fluoro-4-nonylphenyl)boronic acid (CID 66879918) is (3-fluoro-4-nonylphenyl)boronic acid.
What is the SMILES notation for (3-fluoro-4-nonylphenyl)boronic acid?
The canonical SMILES for (3-fluoro-4-nonylphenyl)boronic acid is CCCCCCCCCc1ccc(B(O)O)cc1F.
What is the InChIKey of (3-fluoro-4-nonylphenyl)boronic acid?
The InChIKey is FPOKFJGFKNLSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO2/c1-2-3-4-5-6-7-8-9-13-10-11-14(16(18)19)12-15(13)17/h10-12,18-19H,2-9H2,1H3.
What are the key properties of (3-fluoro-4-nonylphenyl)boronic acid?
(3-fluoro-4-nonylphenyl)boronic acid has a molecular weight of 266.16 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-nonylphenyl)boronic acid is sourced from PubChem (CID 66879918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).