tris(1-fluoropentyl) borate

C15H30BF3O3 — CID 87145479

IUPACtris(1-fluoropentyl) borate
SMILESCCCCC(F)OB(OC(F)CCCC)OC(F)CCCC
InChIInChI=1S/C15H30BF3O3/c1-4-7-10-13(17)20-16(21-14(18)11-8-5-2)22-15(19)12-9-6-3/h13-15H,4-12H2,1-3H3
InChIKeyOCWWXWPJRKGRGJ-UHFFFAOYSA-N
MW326.21 g/mol
LogP5.48
Rot. Bonds15

About tris(1-fluoropentyl) borate

tris(1-fluoropentyl) borate (PubChem CID 87145479) has the molecular formula C15H30BF3O3 and a molecular weight of 326.21 g/mol. Its IUPAC name is tris(1-fluoropentyl) borate.

Molecular Properties

Compound Nametris(1-fluoropentyl) borate
PubChem CID87145479
Molecular FormulaC15H30BF3O3
Molecular Weight326.21 g/mol
Exact Mass326.22
IUPAC Nametris(1-fluoropentyl) borate
SMILESCCCCC(F)OB(OC(F)CCCC)OC(F)CCCC
InChIInChI=1S/C15H30BF3O3/c1-4-7-10-13(17)20-16(21-14(18)11-8-5-2)22-15(19)12-9-6-3/h13-15H,4-12H2,1-3H3
InChIKeyOCWWXWPJRKGRGJ-UHFFFAOYSA-N
XLogP5.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.21
LogP ≤ 55.48
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(1-fluoropentyl) borate?
The IUPAC name of tris(1-fluoropentyl) borate (CID 87145479) is tris(1-fluoropentyl) borate.
What is the SMILES notation for tris(1-fluoropentyl) borate?
The canonical SMILES for tris(1-fluoropentyl) borate is CCCCC(F)OB(OC(F)CCCC)OC(F)CCCC.
What is the InChIKey of tris(1-fluoropentyl) borate?
The InChIKey is OCWWXWPJRKGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BF3O3/c1-4-7-10-13(17)20-16(21-14(18)11-8-5-2)22-15(19)12-9-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of tris(1-fluoropentyl) borate?
tris(1-fluoropentyl) borate has a molecular weight of 326.21 g/mol, XLogP of 5.48, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-fluoropentyl) borate is sourced from PubChem (CID 87145479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).