methyl(triphenyl)phosphanium;trifluoromethanesulfonate

C20H18F3O3PS — CID 157363321

IUPACmethyl(triphenyl)phosphanium;trifluoromethanesulfonate
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C19H18P.CHF3O3S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1
InChIKeyBIWVKRPSNPGAJI-UHFFFAOYSA-M
MW426.40 g/mol
LogP3.66
Rot. Bonds3

About methyl(triphenyl)phosphanium;trifluoromethanesulfonate

methyl(triphenyl)phosphanium;trifluoromethanesulfonate (PubChem CID 157363321) has the molecular formula C20H18F3O3PS and a molecular weight of 426.40 g/mol. Its IUPAC name is methyl(triphenyl)phosphanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namemethyl(triphenyl)phosphanium;trifluoromethanesulfonate
PubChem CID157363321
Molecular FormulaC20H18F3O3PS
Molecular Weight426.40 g/mol
Exact Mass426.07
IUPAC Namemethyl(triphenyl)phosphanium;trifluoromethanesulfonate
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C19H18P.CHF3O3S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1
InChIKeyBIWVKRPSNPGAJI-UHFFFAOYSA-M
XLogP3.66
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Stannane, ((methylsulfonyl)oxy)triphenyl-
CID 16684369
Triphenylphosphonium anhydride triflate
CID 11040176
Triphenyl(2,2,2-trifluoroethyl)phosphanium trifluoromethanesulfonate
CID 11179430
(Triphenylphosphine)gold(I) triflate
CID 15367309
3-(Triphenylphosphonio)propane-1-sulfonate
CID 16216941
3,3-Dimethylbut-1-ynyl(triphenyl)phosphanium;trifluoromethanesulfonate
CID 24202376
Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium
CID 24202391
Triphenyl(2,2,2-trifluoroethyl)phosphorane
CID 494204
triphenyl-(4-sulfo-butyl)-phosphonium inner salt
CID 11440922
Bis(trifluoromethylsulfonyl)azanide;gold(1+);triphenylphosphane
CID 12002751
1-[Bis(4-fluorophenyl)-(3-sulfonatosulfanylpropyl)phosphaniumyl]-4-fluorobenzene
CID 134143720
Triphenyl(trifluoromethylsulfonyloxy)silane
CID 5232842

Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)phosphanium;trifluoromethanesulfonate?
The IUPAC name of methyl(triphenyl)phosphanium;trifluoromethanesulfonate (CID 157363321) is methyl(triphenyl)phosphanium;trifluoromethanesulfonate.
What is the SMILES notation for methyl(triphenyl)phosphanium;trifluoromethanesulfonate?
The canonical SMILES for methyl(triphenyl)phosphanium;trifluoromethanesulfonate is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of methyl(triphenyl)phosphanium;trifluoromethanesulfonate?
The InChIKey is BIWVKRPSNPGAJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18P.CHF3O3S/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of methyl(triphenyl)phosphanium;trifluoromethanesulfonate?
methyl(triphenyl)phosphanium;trifluoromethanesulfonate has a molecular weight of 426.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)phosphanium;trifluoromethanesulfonate is sourced from PubChem (CID 157363321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).