bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate

C15H10F9O3PS — CID 159279842

IUPACbis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate
SMILESFC(F)(F)c1ccc([PH2+]c2ccc(C(F)(F)F)cc2)cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C14H9F6P.CHF3O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1(3,4)8(5,6)7/h1-8,21H;(H,5,6,7)
InChIKeyKYTSWDMQWIGYDQ-UHFFFAOYSA-N
MW472.27 g/mol
LogP4.14
Rot. Bonds2

About bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate

bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate (PubChem CID 159279842) has the molecular formula C15H10F9O3PS and a molecular weight of 472.27 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate
PubChem CID159279842
Molecular FormulaC15H10F9O3PS
Molecular Weight472.27 g/mol
Exact Mass471.99
IUPAC Namebis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate
SMILESFC(F)(F)c1ccc([PH2+]c2ccc(C(F)(F)F)cc2)cc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C14H9F6P.CHF3O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1(3,4)8(5,6)7/h1-8,21H;(H,5,6,7)
InChIKeyKYTSWDMQWIGYDQ-UHFFFAOYSA-N
XLogP4.14
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.27
LogP ≤ 54.14
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

diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;trifluoromethanesulfonate
CID 18759328
2-methylprop-1-enyl-[4-(trifluoromethyl)phenyl]iodanium;trifluoromethanesulfonate
CID 10838299
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
bis(2-tert-butylphenyl)phosphanium;trifluoromethanesulfonate
CID 158228676
[4-(trifluoromethyl)phenyl]sulfonylformonitrile
CID 105495691
(2R,3R)-1-fluoro-4-methyl-2,3-bis[4-(trifluoromethyl)phenyl]-1,4-diazoniabicyclo[2.2.2]octane;bis(trifluoromethanesulfonate)
CID 140692441
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanesulfonic acid
CID 115049943
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943

Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate?
The IUPAC name of bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate (CID 159279842) is bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate.
What is the SMILES notation for bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate?
The canonical SMILES for bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate is FC(F)(F)c1ccc([PH2+]c2ccc(C(F)(F)F)cc2)cc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate?
The InChIKey is KYTSWDMQWIGYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6P.CHF3O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;2-1(3,4)8(5,6)7/h1-8,21H;(H,5,6,7).
What are the key properties of bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate?
bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate has a molecular weight of 472.27 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)phenyl]phosphanium;trifluoromethanesulfonate is sourced from PubChem (CID 159279842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).