(2-fluoro-4-pentylphenyl)boronic acid

C11H16BFO2 — CID 54278063

IUPAC(2-fluoro-4-pentylphenyl)boronic acid
SMILESCCCCCc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C11H16BFO2/c1-2-3-4-5-9-6-7-10(12(14)15)11(13)8-9/h6-8,14-15H,2-5H2,1H3
InChIKeyROVCGJUOIDPLBG-UHFFFAOYSA-N
MW210.06 g/mol
LogP1.24
Rot. Bonds5

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

(2-fluoro-4-pentylphenyl)boronic acid (PubChem CID 54278063) has the molecular formula C11H16BFO2 and a molecular weight of 210.06 g/mol. Its IUPAC name is (2-fluoro-4-pentylphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-4-pentylphenyl)boronic acid
PubChem CID54278063
Molecular FormulaC11H16BFO2
Molecular Weight210.06 g/mol
Exact Mass210.12
IUPAC Name(2-fluoro-4-pentylphenyl)boronic acid
SMILESCCCCCc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C11H16BFO2/c1-2-3-4-5-9-6-7-10(12(14)15)11(13)8-9/h6-8,14-15H,2-5H2,1H3
InChIKeyROVCGJUOIDPLBG-UHFFFAOYSA-N
XLogP1.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 51.24
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

[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid
CID 140945997
2-fluoro-4-nonylbenzoic acid
CID 57292315
2-fluoro-4-pentylaniline
CID 146198864
(2,5-difluoro-4-pentylphenyl)boronic acid
CID 54088623
(2-fluoro-4-nonoxyphenyl)boronic acid
CID 23005431
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
CID 18172823
2-fluoro-4-pentadecylbenzenesulfonic acid
CID 87359699
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
CID 15007754
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pentylphenyl)boronic acid?
The IUPAC name of (2-fluoro-4-pentylphenyl)boronic acid (CID 54278063) is (2-fluoro-4-pentylphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-4-pentylphenyl)boronic acid?
The canonical SMILES for (2-fluoro-4-pentylphenyl)boronic acid is CCCCCc1ccc(B(O)O)c(F)c1.
What is the InChIKey of (2-fluoro-4-pentylphenyl)boronic acid?
The InChIKey is ROVCGJUOIDPLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BFO2/c1-2-3-4-5-9-6-7-10(12(14)15)11(13)8-9/h6-8,14-15H,2-5H2,1H3.
What are the key properties of (2-fluoro-4-pentylphenyl)boronic acid?
(2-fluoro-4-pentylphenyl)boronic acid has a molecular weight of 210.06 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pentylphenyl)boronic acid is sourced from PubChem (CID 54278063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).