[trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate

C14H6F24O24S8Si4 — CID 154179826

IUPAC[trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate
SMILESO=S(=O)(O[SiH](OS(=O)(=O)C(F)(F)F)c1ccc([SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c([SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c1[SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H6F24O24S8Si4/c15-7(16,17)63(39,40)55-71(56-64(41,42)8(18,19)20)3-1-2-4(72(57-65(43,44)9(21,22)23)58-66(45,46)10(24,25)26)6(74(61-69(51,52)13(33,34)35)62-70(53,54)14(36,37)38)5(3)73(59-67(47,48)11(27,28)29)60-68(49,50)12(30,31)32/h1-2,71-74H
InChIKeyKGTBNWHNQJDSQF-UHFFFAOYSA-N
MW1383.01 g/mol
LogP-1.67
Rot. Bonds20

About [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate

[trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate (PubChem CID 154179826) has the molecular formula C14H6F24O24S8Si4 and a molecular weight of 1383.01 g/mol. Its IUPAC name is [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate
PubChem CID154179826
Molecular FormulaC14H6F24O24S8Si4
Molecular Weight1383.01 g/mol
Exact Mass1381.57
IUPAC Name[trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate
SMILESO=S(=O)(O[SiH](OS(=O)(=O)C(F)(F)F)c1ccc([SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c([SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c1[SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H6F24O24S8Si4/c15-7(16,17)63(39,40)55-71(56-64(41,42)8(18,19)20)3-1-2-4(72(57-65(43,44)9(21,22)23)58-66(45,46)10(24,25)26)6(74(61-69(51,52)13(33,34)35)62-70(53,54)14(36,37)38)5(3)73(59-67(47,48)11(27,28)29)60-68(49,50)12(30,31)32/h1-2,71-74H
InChIKeyKGTBNWHNQJDSQF-UHFFFAOYSA-N
XLogP-1.67
TPSA346.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.01
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

[methyl(methylamino)silyl] trifluoromethanesulfonate
CID 123394022
[3,5-bis(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 19421193
[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl] trifluoromethanesulfonate
CID 11761662
[triphenyl-[triphenyl(trifluoromethylsulfonyloxy)-λ5-phosphanyl]oxy-λ5-phosphanyl] trifluoromethanesulfonate
CID 12027763
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
[phenoxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
CID 16689064
(triphenyl-λ4-sulfanyl) trifluoromethanesulfonate
CID 141079280
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
N,N-dimethylmethanamine;4-(trifluoromethylsulfonyloxy)benzoic acid
CID 173103797
trifluoromethanesulfonate;triphenyl(trifluoromethylsulfonyloxy)arsanium
CID 162786650
cyclopropen-1-yl trifluoromethanesulfonate
CID 89361921
bis[4-(trifluoromethylsulfonyloxy)phenyl]iodanium
CID 154723322

Frequently Asked Questions

What is the IUPAC name of [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate?
The IUPAC name of [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate (CID 154179826) is [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate.
What is the SMILES notation for [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate?
The canonical SMILES for [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate is O=S(=O)(O[SiH](OS(=O)(=O)C(F)(F)F)c1ccc([SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c([SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c1[SiH](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate?
The InChIKey is KGTBNWHNQJDSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F24O24S8Si4/c15-7(16,17)63(39,40)55-71(56-64(41,42)8(18,19)20)3-1-2-4(72(57-65(43,44)9(21,22)23)58-66(45,46)10(24,25)26)6(74(61-69(51,52)13(33,34)35)62-70(53,54)14(36,37)38)5(3)73(59-67(47,48)11(27,28)29)60-68(49,50)12(30,31)32/h1-2,71-74H.
What are the key properties of [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate?
[trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate has a molecular weight of 1383.01 g/mol, XLogP of -1.67, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [trifluoromethylsulfonyloxy-[2,3,4-tris[bis(trifluoromethylsulfonyloxy)silyl]phenyl]silyl] trifluoromethanesulfonate is sourced from PubChem (CID 154179826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).