(2-fluoro-4-nonoxyphenyl)boronic acid

C15H24BFO3 — CID 23005431

IUPAC(2-fluoro-4-nonoxyphenyl)boronic acid
SMILESCCCCCCCCCOc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C15H24BFO3/c1-2-3-4-5-6-7-8-11-20-13-9-10-14(16(18)19)15(17)12-13/h9-10,12,18-19H,2-8,11H2,1H3
InChIKeyARXYERINQCMSSD-UHFFFAOYSA-N
MW282.16 g/mol
LogP2.63
Rot. Bonds10

About (2-fluoro-4-nonoxyphenyl)boronic acid

(2-fluoro-4-nonoxyphenyl)boronic acid (PubChem CID 23005431) has the molecular formula C15H24BFO3 and a molecular weight of 282.16 g/mol. Its IUPAC name is (2-fluoro-4-nonoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-4-nonoxyphenyl)boronic acid
PubChem CID23005431
Molecular FormulaC15H24BFO3
Molecular Weight282.16 g/mol
Exact Mass282.18
IUPAC Name(2-fluoro-4-nonoxyphenyl)boronic acid
SMILESCCCCCCCCCOc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C15H24BFO3/c1-2-3-4-5-6-7-8-11-20-13-9-10-14(16(18)19)15(17)12-13/h9-10,12,18-19H,2-8,11H2,1H3
InChIKeyARXYERINQCMSSD-UHFFFAOYSA-N
XLogP2.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
[4-[3-(dimethylamino)propoxy]-2-fluorophenyl]boronic acid
CID 114525791
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
[4-(1,1-difluorohexoxy)-2-fluorophenyl]boronic acid
CID 119094942
[2-fluoro-4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]boronic acid
CID 65203771
methyl 2-fluoro-4-octoxybenzoate
CID 59683755
(3-hexoxyphenyl)boronic acid
CID 43145336
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
[4-(2-tert-butylsulfonylethoxy)-2-fluorophenyl]boronic acid
CID 106726786

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-nonoxyphenyl)boronic acid?
The IUPAC name of (2-fluoro-4-nonoxyphenyl)boronic acid (CID 23005431) is (2-fluoro-4-nonoxyphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-4-nonoxyphenyl)boronic acid?
The canonical SMILES for (2-fluoro-4-nonoxyphenyl)boronic acid is CCCCCCCCCOc1ccc(B(O)O)c(F)c1.
What is the InChIKey of (2-fluoro-4-nonoxyphenyl)boronic acid?
The InChIKey is ARXYERINQCMSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO3/c1-2-3-4-5-6-7-8-11-20-13-9-10-14(16(18)19)15(17)12-13/h9-10,12,18-19H,2-8,11H2,1H3.
What are the key properties of (2-fluoro-4-nonoxyphenyl)boronic acid?
(2-fluoro-4-nonoxyphenyl)boronic acid has a molecular weight of 282.16 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-nonoxyphenyl)boronic acid is sourced from PubChem (CID 23005431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).