diphenyl(trifluoromethyl)phosphanium tetrafluoroborate

C13H11BF7P — CID 161484920

IUPACdiphenyl(trifluoromethyl)phosphanium tetrafluoroborate
SMILESFC(F)(F)[PH+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C13H10F3P.BF4/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;/q;-1/p+1
InChIKeyWEVWASBXNILVAX-UHFFFAOYSA-O
MW342.00 g/mol
LogP4.67
Rot. Bonds2

About diphenyl(trifluoromethyl)phosphanium tetrafluoroborate

diphenyl(trifluoromethyl)phosphanium tetrafluoroborate (PubChem CID 161484920) has the molecular formula C13H11BF7P and a molecular weight of 342.00 g/mol. Its IUPAC name is diphenyl(trifluoromethyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Namediphenyl(trifluoromethyl)phosphanium tetrafluoroborate
PubChem CID161484920
Molecular FormulaC13H11BF7P
Molecular Weight342.00 g/mol
Exact Mass342.06
IUPAC Namediphenyl(trifluoromethyl)phosphanium tetrafluoroborate
SMILESFC(F)(F)[PH+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C13H10F3P.BF4/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;/q;-1/p+1
InChIKeyWEVWASBXNILVAX-UHFFFAOYSA-O
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.00
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide
CID 158532434
hydron;triphenylphosphanium;ditetrafluoroborate
CID 173429436
ditert-butyl(phenyl)phosphanium tetrafluoroborate
CID 11220595
hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;tetrakis(triphenylphosphanium)
CID 54587875
palladium;triphenylphosphanium
CID 22229115
benzoic acid tritetrafluoroborate
CID 173117311
phenyliodanium tetrafluoroborate
CID 87283561
tetraphenylboranuide tetrafluoroborate
CID 87564099
nickel;tris(trifluorophosphanium);triphenylphosphanium
CID 154702811
1,1'-biphenyl;triphenylphosphanium;hydroxide
CID 18407779
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199

Frequently Asked Questions

What is the IUPAC name of diphenyl(trifluoromethyl)phosphanium tetrafluoroborate?
The IUPAC name of diphenyl(trifluoromethyl)phosphanium tetrafluoroborate (CID 161484920) is diphenyl(trifluoromethyl)phosphanium tetrafluoroborate.
What is the SMILES notation for diphenyl(trifluoromethyl)phosphanium tetrafluoroborate?
The canonical SMILES for diphenyl(trifluoromethyl)phosphanium tetrafluoroborate is FC(F)(F)[PH+](c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of diphenyl(trifluoromethyl)phosphanium tetrafluoroborate?
The InChIKey is WEVWASBXNILVAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10F3P.BF4/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5/h1-10H;/q;-1/p+1.
What are the key properties of diphenyl(trifluoromethyl)phosphanium tetrafluoroborate?
diphenyl(trifluoromethyl)phosphanium tetrafluoroborate has a molecular weight of 342.00 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(trifluoromethyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 161484920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).