[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid

C15H24BFO2 — CID 140945997

IUPAC[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid
SMILESCCCCCC(CC)Cc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C15H24BFO2/c1-3-5-6-7-12(4-2)10-13-8-9-14(16(18)19)15(17)11-13/h8-9,11-12,18-19H,3-7,10H2,1-2H3
InChIKeyRFGBDJDAPBKXNB-UHFFFAOYSA-N
MW266.16 g/mol
LogP2.65
Rot. Bonds8

About [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid

[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid (PubChem CID 140945997) has the molecular formula C15H24BFO2 and a molecular weight of 266.16 g/mol. Its IUPAC name is [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid
PubChem CID140945997
Molecular FormulaC15H24BFO2
Molecular Weight266.16 g/mol
Exact Mass266.19
IUPAC Name[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid
SMILESCCCCCC(CC)Cc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C15H24BFO2/c1-3-5-6-7-12(4-2)10-13-8-9-14(16(18)19)15(17)11-13/h8-9,11-12,18-19H,3-7,10H2,1-2H3
InChIKeyRFGBDJDAPBKXNB-UHFFFAOYSA-N
XLogP2.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 52.65
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

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CID 54278063
(2-fluoro-4-nonoxyphenyl)boronic acid
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2-[(3-fluorophenyl)methyl]octan-1-amine
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6,7-diethyl-4,9-bis[4-[4-(2-ethylheptyl)-2-fluorophenyl]phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
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1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
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4-(2-butylheptyl)phenol
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[1-(3,4-difluorophenyl)-4-ethyloctan-2-yl]hydrazine
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1-chloro-4-[2-(chloromethyl)octyl]benzene
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CID 70630098

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid?
The IUPAC name of [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid (CID 140945997) is [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid.
What is the SMILES notation for [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid?
The canonical SMILES for [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid is CCCCCC(CC)Cc1ccc(B(O)O)c(F)c1.
What is the InChIKey of [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid?
The InChIKey is RFGBDJDAPBKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO2/c1-3-5-6-7-12(4-2)10-13-8-9-14(16(18)19)15(17)11-13/h8-9,11-12,18-19H,3-7,10H2,1-2H3.
What are the key properties of [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid?
[4-(2-ethylheptyl)-2-fluorophenyl]boronic acid has a molecular weight of 266.16 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylheptyl)-2-fluorophenyl]boronic acid is sourced from PubChem (CID 140945997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).