bis(trifluoromethoxy)borinic acid

C2HBF6O3 — CID 87377576

IUPACbis(trifluoromethoxy)borinic acid
SMILESOB(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C2HBF6O3/c4-1(5,6)11-3(10)12-2(7,8)9/h10H
InChIKeyBBVJKZBZAKIDHU-UHFFFAOYSA-N
MW197.83 g/mol
LogP1.04
Rot. Bonds2

About bis(trifluoromethoxy)borinic acid

bis(trifluoromethoxy)borinic acid (PubChem CID 87377576) has the molecular formula C2HBF6O3 and a molecular weight of 197.83 g/mol. Its IUPAC name is bis(trifluoromethoxy)borinic acid.

Molecular Properties

Compound Namebis(trifluoromethoxy)borinic acid
PubChem CID87377576
Molecular FormulaC2HBF6O3
Molecular Weight197.83 g/mol
Exact Mass197.99
IUPAC Namebis(trifluoromethoxy)borinic acid
SMILESOB(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C2HBF6O3/c4-1(5,6)11-3(10)12-2(7,8)9/h10H
InChIKeyBBVJKZBZAKIDHU-UHFFFAOYSA-N
XLogP1.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.83
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 bis(trifluoromethoxy)borinic acid?
The IUPAC name of bis(trifluoromethoxy)borinic acid (CID 87377576) is bis(trifluoromethoxy)borinic acid.
What is the SMILES notation for bis(trifluoromethoxy)borinic acid?
The canonical SMILES for bis(trifluoromethoxy)borinic acid is OB(OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of bis(trifluoromethoxy)borinic acid?
The InChIKey is BBVJKZBZAKIDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBF6O3/c4-1(5,6)11-3(10)12-2(7,8)9/h10H.
What are the key properties of bis(trifluoromethoxy)borinic acid?
bis(trifluoromethoxy)borinic acid has a molecular weight of 197.83 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethoxy)borinic acid is sourced from PubChem (CID 87377576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).