[(1R)-1,3-diphenylpropyl]-trifluoroboranuide

C15H15BF3- — CID 102300911

IUPAC[(1R)-1,3-diphenylpropyl]-trifluoroboranuide
SMILESF[B-](F)(F)[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BF3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/q-1/t15-/m1/s1
InChIKeyMIELFPVJPAREFT-OAHLLOKOSA-N
MW263.09 g/mol
LogP4.79
Rot. Bonds5

About [(1R)-1,3-diphenylpropyl]-trifluoroboranuide

[(1R)-1,3-diphenylpropyl]-trifluoroboranuide (PubChem CID 102300911) has the molecular formula C15H15BF3- and a molecular weight of 263.09 g/mol. Its IUPAC name is [(1R)-1,3-diphenylpropyl]-trifluoroboranuide.

Molecular Properties

Compound Name[(1R)-1,3-diphenylpropyl]-trifluoroboranuide
PubChem CID102300911
Molecular FormulaC15H15BF3-
Molecular Weight263.09 g/mol
Exact Mass263.12
IUPAC Name[(1R)-1,3-diphenylpropyl]-trifluoroboranuide
SMILESF[B-](F)(F)[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15BF3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/q-1/t15-/m1/s1
InChIKeyMIELFPVJPAREFT-OAHLLOKOSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(1R)-1,3-diphenylpropyl]-trifluoroboranuide?
The IUPAC name of [(1R)-1,3-diphenylpropyl]-trifluoroboranuide (CID 102300911) is [(1R)-1,3-diphenylpropyl]-trifluoroboranuide.
What is the SMILES notation for [(1R)-1,3-diphenylpropyl]-trifluoroboranuide?
The canonical SMILES for [(1R)-1,3-diphenylpropyl]-trifluoroboranuide is F[B-](F)(F)[C@H](CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1,3-diphenylpropyl]-trifluoroboranuide?
The InChIKey is MIELFPVJPAREFT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15BF3/c17-16(18,19)15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2/q-1/t15-/m1/s1.
What are the key properties of [(1R)-1,3-diphenylpropyl]-trifluoroboranuide?
[(1R)-1,3-diphenylpropyl]-trifluoroboranuide has a molecular weight of 263.09 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,3-diphenylpropyl]-trifluoroboranuide is sourced from PubChem (CID 102300911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).