ethoxyethane;fluoroboronic acid

C32H88B4F4O16 — CID 173104049

IUPACethoxyethane;fluoroboronic acid
SMILESCCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/8C4H10O.4BFH2O2/c8*1-3-5-4-2;4*2-1(3)4/h8*3-4H2,1-2H3;4*3-4H
InChIKeyQFKSWIYYFLIMER-UHFFFAOYSA-N
MW848.28 g/mol
LogP4.04
Rot. Bonds16

About ethoxyethane;fluoroboronic acid

ethoxyethane;fluoroboronic acid (PubChem CID 173104049) has the molecular formula C32H88B4F4O16 and a molecular weight of 848.28 g/mol. Its IUPAC name is ethoxyethane;fluoroboronic acid.

Molecular Properties

Compound Nameethoxyethane;fluoroboronic acid
PubChem CID173104049
Molecular FormulaC32H88B4F4O16
Molecular Weight848.28 g/mol
Exact Mass848.64
IUPAC Nameethoxyethane;fluoroboronic acid
SMILESCCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.OB(O)F.OB(O)F.OB(O)F.OB(O)F
InChIInChI=1S/8C4H10O.4BFH2O2/c8*1-3-5-4-2;4*2-1(3)4/h8*3-4H2,1-2H3;4*3-4H
InChIKeyQFKSWIYYFLIMER-UHFFFAOYSA-N
XLogP4.04
TPSA235.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.28
LogP ≤ 54.04
H-Bond Donors ≤ 58
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 ethoxyethane;fluoroboronic acid?
The IUPAC name of ethoxyethane;fluoroboronic acid (CID 173104049) is ethoxyethane;fluoroboronic acid.
What is the SMILES notation for ethoxyethane;fluoroboronic acid?
The canonical SMILES for ethoxyethane;fluoroboronic acid is CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.OB(O)F.OB(O)F.OB(O)F.OB(O)F.
What is the InChIKey of ethoxyethane;fluoroboronic acid?
The InChIKey is QFKSWIYYFLIMER-UHFFFAOYSA-N. The full InChI is InChI=1S/8C4H10O.4BFH2O2/c8*1-3-5-4-2;4*2-1(3)4/h8*3-4H2,1-2H3;4*3-4H.
What are the key properties of ethoxyethane;fluoroboronic acid?
ethoxyethane;fluoroboronic acid has a molecular weight of 848.28 g/mol, XLogP of 4.04, 16 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;fluoroboronic acid is sourced from PubChem (CID 173104049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).