benzyl(phenyl)iodanium tetrafluoroborate

C13H12BF4I — CID 134880627

IUPACbenzyl(phenyl)iodanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C[I+]c2ccccc2)cc1
InChIInChI=1S/C13H12I.BF4/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H,11H2;/q+1;-1
InChIKeyKHWXJNOHWREEHO-UHFFFAOYSA-N
MW381.95 g/mol
LogP1.45
Rot. Bonds3

About benzyl(phenyl)iodanium tetrafluoroborate

benzyl(phenyl)iodanium tetrafluoroborate (PubChem CID 134880627) has the molecular formula C13H12BF4I and a molecular weight of 381.95 g/mol. Its IUPAC name is benzyl(phenyl)iodanium tetrafluoroborate.

Molecular Properties

Compound Namebenzyl(phenyl)iodanium tetrafluoroborate
PubChem CID134880627
Molecular FormulaC13H12BF4I
Molecular Weight381.95 g/mol
Exact Mass382.00
IUPAC Namebenzyl(phenyl)iodanium tetrafluoroborate
SMILESF[B-](F)(F)F.c1ccc(C[I+]c2ccccc2)cc1
InChIInChI=1S/C13H12I.BF4/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H,11H2;/q+1;-1
InChIKeyKHWXJNOHWREEHO-UHFFFAOYSA-N
XLogP1.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
phenyl(prop-2-ynyl)iodanium
CID 102122048
benzyl(diphenyl)sulfanium tetrafluoroborate
CID 11485309
dibenzyl(phenyl)sulfanium tetrafluoroborate
CID 19795269
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
trifluoro(phenyliodoniooxy)boranuide
CID 102328105
benzylphosphanium;bis(palladium(2+))
CID 175706897
benzylphosphanium chloride
CID 70121985
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
2-benzyl-4-phenyltriazetidine
CID 121323485
benzyl(ethenyl)phosphanium tetrafluoroborate
CID 139776682
CID 18982406
CID 18982406

Frequently Asked Questions

What is the IUPAC name of benzyl(phenyl)iodanium tetrafluoroborate?
The IUPAC name of benzyl(phenyl)iodanium tetrafluoroborate (CID 134880627) is benzyl(phenyl)iodanium tetrafluoroborate.
What is the SMILES notation for benzyl(phenyl)iodanium tetrafluoroborate?
The canonical SMILES for benzyl(phenyl)iodanium tetrafluoroborate is F[B-](F)(F)F.c1ccc(C[I+]c2ccccc2)cc1.
What is the InChIKey of benzyl(phenyl)iodanium tetrafluoroborate?
The InChIKey is KHWXJNOHWREEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12I.BF4/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;2-1(3,4)5/h1-10H,11H2;/q+1;-1.
What are the key properties of benzyl(phenyl)iodanium tetrafluoroborate?
benzyl(phenyl)iodanium tetrafluoroborate has a molecular weight of 381.95 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(phenyl)iodanium tetrafluoroborate is sourced from PubChem (CID 134880627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).