fluoro(6-pentylundecan-6-yloxy)borinic acid

C16H34BFO2 — CID 173186066

IUPACfluoro(6-pentylundecan-6-yloxy)borinic acid
SMILESCCCCCC(CCCCC)(CCCCC)OB(O)F
InChIInChI=1S/C16H34BFO2/c1-4-7-10-13-16(20-17(18)19,14-11-8-5-2)15-12-9-6-3/h19H,4-15H2,1-3H3
InChIKeySAGDBFZECVLXLI-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.43
Rot. Bonds14

About fluoro(6-pentylundecan-6-yloxy)borinic acid

fluoro(6-pentylundecan-6-yloxy)borinic acid (PubChem CID 173186066) has the molecular formula C16H34BFO2 and a molecular weight of 288.26 g/mol. Its IUPAC name is fluoro(6-pentylundecan-6-yloxy)borinic acid.

Molecular Properties

Compound Namefluoro(6-pentylundecan-6-yloxy)borinic acid
PubChem CID173186066
Molecular FormulaC16H34BFO2
Molecular Weight288.26 g/mol
Exact Mass288.26
IUPAC Namefluoro(6-pentylundecan-6-yloxy)borinic acid
SMILESCCCCCC(CCCCC)(CCCCC)OB(O)F
InChIInChI=1S/C16H34BFO2/c1-4-7-10-13-16(20-17(18)19,14-11-8-5-2)15-12-9-6-3/h19H,4-15H2,1-3H3
InChIKeySAGDBFZECVLXLI-UHFFFAOYSA-N
XLogP5.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.43
H-Bond Donors ≤ 51
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

19-(35-hydroxy-17-pentadecylpentatriacontan-17-yl)oxy-19-pentadecylpentatriacontan-1-ol
CID 139975376
14-tridecyloctacosan-14-yloxysilane
CID 173060340
11-methoxy-11-nonyltetracosane
CID 159441841
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
3-ethyl-3-hydroperoxytridecane
CID 140733477
N-(3-ethyloctan-3-yloxy)propanamide
CID 154629166
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
9-octyloctadecan-9-yl acetate
CID 87256953
13-dodecylpentacosan-13-yl acetate
CID 57064481
boric acid;1-fluorooctane
CID 174838883
octane-3,3-diol
CID 157318438
10-decoxy-10-nonylnonadecane
CID 150430521

Frequently Asked Questions

What is the IUPAC name of fluoro(6-pentylundecan-6-yloxy)borinic acid?
The IUPAC name of fluoro(6-pentylundecan-6-yloxy)borinic acid (CID 173186066) is fluoro(6-pentylundecan-6-yloxy)borinic acid.
What is the SMILES notation for fluoro(6-pentylundecan-6-yloxy)borinic acid?
The canonical SMILES for fluoro(6-pentylundecan-6-yloxy)borinic acid is CCCCCC(CCCCC)(CCCCC)OB(O)F.
What is the InChIKey of fluoro(6-pentylundecan-6-yloxy)borinic acid?
The InChIKey is SAGDBFZECVLXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34BFO2/c1-4-7-10-13-16(20-17(18)19,14-11-8-5-2)15-12-9-6-3/h19H,4-15H2,1-3H3.
What are the key properties of fluoro(6-pentylundecan-6-yloxy)borinic acid?
fluoro(6-pentylundecan-6-yloxy)borinic acid has a molecular weight of 288.26 g/mol, XLogP of 5.43, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(6-pentylundecan-6-yloxy)borinic acid is sourced from PubChem (CID 173186066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).