ethanol;fluoroboronic acid

C16H56B4F4O16 — CID 173291774

IUPACethanol;fluoroboronic acid
SMILESCCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/8C2H6O.4BFH2O2/c8*1-2-3;4*2-1(3)4/h8*3H,2H2,1H3;4*3-4H
InChIKeyWKJRKMSBZANBCU-UHFFFAOYSA-N
MW623.85 g/mol
LogP-4.31
Rot. Bonds

About ethanol;fluoroboronic acid

ethanol;fluoroboronic acid (PubChem CID 173291774) has the molecular formula C16H56B4F4O16 and a molecular weight of 623.85 g/mol. Its IUPAC name is ethanol;fluoroboronic acid.

Molecular Properties

Compound Nameethanol;fluoroboronic acid
PubChem CID173291774
Molecular FormulaC16H56B4F4O16
Molecular Weight623.85 g/mol
Exact Mass624.39
IUPAC Nameethanol;fluoroboronic acid
SMILESCCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/8C2H6O.4BFH2O2/c8*1-2-3;4*2-1(3)4/h8*3H,2H2,1H3;4*3-4H
InChIKeyWKJRKMSBZANBCU-UHFFFAOYSA-N
XLogP-4.31
TPSA323.68 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500623.85
LogP ≤ 5-4.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;fluoroboronic acid?
The IUPAC name of ethanol;fluoroboronic acid (CID 173291774) is ethanol;fluoroboronic acid.
What is the SMILES notation for ethanol;fluoroboronic acid?
The canonical SMILES for ethanol;fluoroboronic acid is CCO.CCO.CCO.CCO.CCO.CCO.CCO.CCO.OB(O)F.OB(O)F.OB(O)F.OB(O)F.
What is the InChIKey of ethanol;fluoroboronic acid?
The InChIKey is WKJRKMSBZANBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C2H6O.4BFH2O2/c8*1-2-3;4*2-1(3)4/h8*3H,2H2,1H3;4*3-4H.
What are the key properties of ethanol;fluoroboronic acid?
ethanol;fluoroboronic acid has a molecular weight of 623.85 g/mol, XLogP of -4.31, 0 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;fluoroboronic acid is sourced from PubChem (CID 173291774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).