fluorooxy(prop-2-enoxy)borinic acid

C3H6BFO3 — CID 87307214

IUPACfluorooxy(prop-2-enoxy)borinic acid
SMILESC=CCOB(O)OF
InChIInChI=1S/C3H6BFO3/c1-2-3-7-4(6)8-5/h2,6H,1,3H2
InChIKeySJUYDDQYCFOUNN-UHFFFAOYSA-N
MW119.89 g/mol
LogP0.07
Rot. Bonds4

About fluorooxy(prop-2-enoxy)borinic acid

fluorooxy(prop-2-enoxy)borinic acid (PubChem CID 87307214) has the molecular formula C3H6BFO3 and a molecular weight of 119.89 g/mol. Its IUPAC name is fluorooxy(prop-2-enoxy)borinic acid.

Molecular Properties

Compound Namefluorooxy(prop-2-enoxy)borinic acid
PubChem CID87307214
Molecular FormulaC3H6BFO3
Molecular Weight119.89 g/mol
Exact Mass120.04
IUPAC Namefluorooxy(prop-2-enoxy)borinic acid
SMILESC=CCOB(O)OF
InChIInChI=1S/C3H6BFO3/c1-2-3-7-4(6)8-5/h2,6H,1,3H2
InChIKeySJUYDDQYCFOUNN-UHFFFAOYSA-N
XLogP0.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.89
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluorooxy(prop-2-enoxy)borinic acid?
The IUPAC name of fluorooxy(prop-2-enoxy)borinic acid (CID 87307214) is fluorooxy(prop-2-enoxy)borinic acid.
What is the SMILES notation for fluorooxy(prop-2-enoxy)borinic acid?
The canonical SMILES for fluorooxy(prop-2-enoxy)borinic acid is C=CCOB(O)OF.
What is the InChIKey of fluorooxy(prop-2-enoxy)borinic acid?
The InChIKey is SJUYDDQYCFOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BFO3/c1-2-3-7-4(6)8-5/h2,6H,1,3H2.
What are the key properties of fluorooxy(prop-2-enoxy)borinic acid?
fluorooxy(prop-2-enoxy)borinic acid has a molecular weight of 119.89 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxy(prop-2-enoxy)borinic acid is sourced from PubChem (CID 87307214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).