trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane

C10H16F3NO3SSi — CID 13224828

IUPACtrifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane
SMILESC[Si](C)(C)C[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C9H16NSi.CHF3O3S/c1-11(2,3)9-10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,9H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeySOKNHAJOXJQQIN-UHFFFAOYSA-M
MW315.39 g/mol
LogP1.90
Rot. Bonds2

About trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane

trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane (PubChem CID 13224828) has the molecular formula C10H16F3NO3SSi and a molecular weight of 315.39 g/mol. Its IUPAC name is trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane.

Molecular Properties

Compound Nametrifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane
PubChem CID13224828
Molecular FormulaC10H16F3NO3SSi
Molecular Weight315.39 g/mol
Exact Mass315.06
IUPAC Nametrifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane
SMILESC[Si](C)(C)C[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C9H16NSi.CHF3O3S/c1-11(2,3)9-10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,9H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeySOKNHAJOXJQQIN-UHFFFAOYSA-M
XLogP1.90
TPSA61.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

3-(1-Pyridinio)-1-propanesulfonate
CID 84929
1-Butylpyridinium triflate
CID 2734248
1-Hexylpyridinium Hexafluorophosphate
CID 2734177
1-Butyl-3-methylpyridinium trifluoromethanesulfonate
CID 23079882
Pyridine, 2-(trimethylsilyl)-
CID 139573
Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate
CID 212833
1-Hexylpyridinium tetrafluoroborate
CID 2734181
1-Ethylpyridinium trifluoromethanesulfonate
CID 13638937
1-Ethyl-3-methylpyridinium perfluorobutanesulfonate
CID 87508944
Sulfur trioxide-pyridine
CID 168533
1-Hexylpyridinium trifluoromethanesulfonate
CID 2734249
1-Butyl-4-methylpyridinium trifluoromethanesulfonate
CID 60196392

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane?
The IUPAC name of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane (CID 13224828) is trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane.
What is the SMILES notation for trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane?
The canonical SMILES for trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane is C[Si](C)(C)C[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane?
The InChIKey is SOKNHAJOXJQQIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16NSi.CHF3O3S/c1-11(2,3)9-10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,9H2,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane?
trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane has a molecular weight of 315.39 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;trimethyl(pyridin-1-ium-1-ylmethyl)silane is sourced from PubChem (CID 13224828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).