fluoro(pentoxy)borinic acid

C5H12BFO2 — CID 87578218

IUPACfluoro(pentoxy)borinic acid
SMILESCCCCCOB(O)F
InChIInChI=1S/C5H12BFO2/c1-2-3-4-5-9-6(7)8/h8H,2-5H2,1H3
InChIKeyVNWPHGLUUHMUKH-UHFFFAOYSA-N
MW133.96 g/mol
LogP1.14
Rot. Bonds5

About fluoro(pentoxy)borinic acid

fluoro(pentoxy)borinic acid (PubChem CID 87578218) has the molecular formula C5H12BFO2 and a molecular weight of 133.96 g/mol. Its IUPAC name is fluoro(pentoxy)borinic acid.

Molecular Properties

Compound Namefluoro(pentoxy)borinic acid
PubChem CID87578218
Molecular FormulaC5H12BFO2
Molecular Weight133.96 g/mol
Exact Mass134.09
IUPAC Namefluoro(pentoxy)borinic acid
SMILESCCCCCOB(O)F
InChIInChI=1S/C5H12BFO2/c1-2-3-4-5-9-6(7)8/h8H,2-5H2,1H3
InChIKeyVNWPHGLUUHMUKH-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.96
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of fluoro(pentoxy)borinic acid?
The IUPAC name of fluoro(pentoxy)borinic acid (CID 87578218) is fluoro(pentoxy)borinic acid.
What is the SMILES notation for fluoro(pentoxy)borinic acid?
The canonical SMILES for fluoro(pentoxy)borinic acid is CCCCCOB(O)F.
What is the InChIKey of fluoro(pentoxy)borinic acid?
The InChIKey is VNWPHGLUUHMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BFO2/c1-2-3-4-5-9-6(7)8/h8H,2-5H2,1H3.
What are the key properties of fluoro(pentoxy)borinic acid?
fluoro(pentoxy)borinic acid has a molecular weight of 133.96 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(pentoxy)borinic acid is sourced from PubChem (CID 87578218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).