dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane

C2BF3K2O3 — CID 86620274

IUPACdipotassium;dioxido(1,2,2-trifluoroethenoxy)borane
SMILES[K+].[K+].[O-]B([O-])OC(F)=C(F)F
InChIInChI=1S/C2BF3O3.2K/c4-1(5)2(6)9-3(7)8;;/q-2;2*+1
InChIKeyMCHMXLLGCGCRLT-UHFFFAOYSA-N
MW218.02 g/mol
LogP-7.25
Rot. Bonds2

About dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane

dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane (PubChem CID 86620274) has the molecular formula C2BF3K2O3 and a molecular weight of 218.02 g/mol. Its IUPAC name is dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane.

Molecular Properties

Compound Namedipotassium;dioxido(1,2,2-trifluoroethenoxy)borane
PubChem CID86620274
Molecular FormulaC2BF3K2O3
Molecular Weight218.02 g/mol
Exact Mass217.92
IUPAC Namedipotassium;dioxido(1,2,2-trifluoroethenoxy)borane
SMILES[K+].[K+].[O-]B([O-])OC(F)=C(F)F
InChIInChI=1S/C2BF3O3.2K/c4-1(5)2(6)9-3(7)8;;/q-2;2*+1
InChIKeyMCHMXLLGCGCRLT-UHFFFAOYSA-N
XLogP-7.25
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 5-7.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane?
The IUPAC name of dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane (CID 86620274) is dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane.
What is the SMILES notation for dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane?
The canonical SMILES for dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane is [K+].[K+].[O-]B([O-])OC(F)=C(F)F.
What is the InChIKey of dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane?
The InChIKey is MCHMXLLGCGCRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BF3O3.2K/c4-1(5)2(6)9-3(7)8;;/q-2;2*+1.
What are the key properties of dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane?
dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane has a molecular weight of 218.02 g/mol, XLogP of -7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dioxido(1,2,2-trifluoroethenoxy)borane is sourced from PubChem (CID 86620274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).