2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane

C19H14B3F3O3 — CID 20654598

IUPAC2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane
SMILESFC(F)(F)c1ccc(B2OB(c3ccccc3)OB(c3ccccc3)O2)cc1
InChIInChI=1S/C19H14B3F3O3/c23-19(24,25)15-11-13-18(14-12-15)22-27-20(16-7-3-1-4-8-16)26-21(28-22)17-9-5-2-6-10-17/h1-14H
InChIKeyFTHJCCXGUFQPSE-UHFFFAOYSA-N
MW379.75 g/mol
LogP2.25
Rot. Bonds3

About 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane

2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane (PubChem CID 20654598) has the molecular formula C19H14B3F3O3 and a molecular weight of 379.75 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane
PubChem CID20654598
Molecular FormulaC19H14B3F3O3
Molecular Weight379.75 g/mol
Exact Mass380.12
IUPAC Name2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane
SMILESFC(F)(F)c1ccc(B2OB(c3ccccc3)OB(c3ccccc3)O2)cc1
InChIInChI=1S/C19H14B3F3O3/c23-19(24,25)15-11-13-18(14-12-15)22-27-20(16-7-3-1-4-8-16)26-21(28-22)17-9-5-2-6-10-17/h1-14H
InChIKeyFTHJCCXGUFQPSE-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.75
LogP ≤ 52.25
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 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane (CID 20654598) is 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane is FC(F)(F)c1ccc(B2OB(c3ccccc3)OB(c3ccccc3)O2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is FTHJCCXGUFQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14B3F3O3/c23-19(24,25)15-11-13-18(14-12-15)22-27-20(16-7-3-1-4-8-16)26-21(28-22)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane?
2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 379.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 20654598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).