tris(2,2,2-trifluoroethyl) borate

C6H6BF9O3 — CID 3599767

IUPACtris(2,2,2-trifluoroethyl) borate
SMILESFC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2
InChIKeyDIEXQJFSUBBIRP-UHFFFAOYSA-N
MW307.91 g/mol
LogP2.71
Rot. Bonds6

About tris(2,2,2-trifluoroethyl) borate

tris(2,2,2-trifluoroethyl) borate (PubChem CID 3599767) has the molecular formula C6H6BF9O3 and a molecular weight of 307.91 g/mol. Its IUPAC name is tris(2,2,2-trifluoroethyl) borate.

Molecular Properties

Compound Nametris(2,2,2-trifluoroethyl) borate
PubChem CID3599767
Molecular FormulaC6H6BF9O3
Molecular Weight307.91 g/mol
Exact Mass308.03
IUPAC Nametris(2,2,2-trifluoroethyl) borate
SMILESFC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2
InChIKeyDIEXQJFSUBBIRP-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.91
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 tris(2,2,2-trifluoroethyl) borate?
The IUPAC name of tris(2,2,2-trifluoroethyl) borate (CID 3599767) is tris(2,2,2-trifluoroethyl) borate.
What is the SMILES notation for tris(2,2,2-trifluoroethyl) borate?
The canonical SMILES for tris(2,2,2-trifluoroethyl) borate is FC(F)(F)COB(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of tris(2,2,2-trifluoroethyl) borate?
The InChIKey is DIEXQJFSUBBIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2.
What are the key properties of tris(2,2,2-trifluoroethyl) borate?
tris(2,2,2-trifluoroethyl) borate has a molecular weight of 307.91 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2,2-trifluoroethyl) borate is sourced from PubChem (CID 3599767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).