1,1-diethoxyethane tetrafluoroborate

C6H13BF4O2 — CID 22362138

IUPAC1,1-diethoxyethane tetrafluoroborate
SMILESF[B-](F)(F)F.[CH2+]C(OCC)OCC
InChIInChI=1S/C6H13O2.BF4/c1-4-7-6(3)8-5-2;2-1(3,4)5/h6H,3-5H2,1-2H3;/q+1;-1
InChIKeyGHYYILBCDONUHQ-UHFFFAOYSA-N
MW203.97 g/mol
LogP2.52
Rot. Bonds4

About 1,1-diethoxyethane tetrafluoroborate

1,1-diethoxyethane tetrafluoroborate (PubChem CID 22362138) has the molecular formula C6H13BF4O2 and a molecular weight of 203.97 g/mol. Its IUPAC name is 1,1-diethoxyethane tetrafluoroborate.

Molecular Properties

Compound Name1,1-diethoxyethane tetrafluoroborate
PubChem CID22362138
Molecular FormulaC6H13BF4O2
Molecular Weight203.97 g/mol
Exact Mass204.09
IUPAC Name1,1-diethoxyethane tetrafluoroborate
SMILESF[B-](F)(F)F.[CH2+]C(OCC)OCC
InChIInChI=1S/C6H13O2.BF4/c1-4-7-6(3)8-5-2;2-1(3,4)5/h6H,3-5H2,1-2H3;/q+1;-1
InChIKeyGHYYILBCDONUHQ-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.97
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane tetrafluoroborate?
The IUPAC name of 1,1-diethoxyethane tetrafluoroborate (CID 22362138) is 1,1-diethoxyethane tetrafluoroborate.
What is the SMILES notation for 1,1-diethoxyethane tetrafluoroborate?
The canonical SMILES for 1,1-diethoxyethane tetrafluoroborate is F[B-](F)(F)F.[CH2+]C(OCC)OCC.
What is the InChIKey of 1,1-diethoxyethane tetrafluoroborate?
The InChIKey is GHYYILBCDONUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2.BF4/c1-4-7-6(3)8-5-2;2-1(3,4)5/h6H,3-5H2,1-2H3;/q+1;-1.
What are the key properties of 1,1-diethoxyethane tetrafluoroborate?
1,1-diethoxyethane tetrafluoroborate has a molecular weight of 203.97 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane tetrafluoroborate is sourced from PubChem (CID 22362138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).