1-trimethylsilylethyl trifluoromethanesulfonate

C6H13F3O3SSi — CID 71376011

IUPAC1-trimethylsilylethyl trifluoromethanesulfonate
SMILESCC(OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C6H13F3O3SSi/c1-5(14(2,3)4)12-13(10,11)6(7,8)9/h5H,1-4H3
InChIKeyKODGJZMAASNPHP-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.12
Rot. Bonds3

About 1-trimethylsilylethyl trifluoromethanesulfonate

1-trimethylsilylethyl trifluoromethanesulfonate (PubChem CID 71376011) has the molecular formula C6H13F3O3SSi and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-trimethylsilylethyl trifluoromethanesulfonate.

Molecular Properties

Compound Name1-trimethylsilylethyl trifluoromethanesulfonate
PubChem CID71376011
Molecular FormulaC6H13F3O3SSi
Molecular Weight250.31 g/mol
Exact Mass250.03
IUPAC Name1-trimethylsilylethyl trifluoromethanesulfonate
SMILESCC(OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C6H13F3O3SSi/c1-5(14(2,3)4)12-13(10,11)6(7,8)9/h5H,1-4H3
InChIKeyKODGJZMAASNPHP-UHFFFAOYSA-N
XLogP2.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

4-(Trimethylsilyl)but-3-yn-1-yl trifluoromethanesulfonate
CID 12174447
a-Trimethylsilylvinyl triflate
CID 129666724
Triethyl(trifluoromethylsulfonyl)silane
CID 11218875
Methanesulfonic acid, trifluoro-, (triethylsilyl)methyl ester
CID 71320287
2-[Tert-butyl(dimethyl)silyl]ethyl trifluoromethanesulfonate
CID 142726166
Triethylsilanylium;trifluoromethanesulfonate
CID 161821291
CID 162358751
CID 162358751
[Ethoxy(dimethyl)silyl] trifluoromethanesulfonate
CID 172214222
3-[Difluoro(methyl)silyl]propyl methanesulfonate
CID 174136012
3-[Ethyl(difluoro)silyl]propyl methanesulfonate
CID 174136214
1-[Tert-butyl(dimethyl)silyl]ethyl trifluoromethanesulfonate
CID 175376461
3-(Difluoromethylsilyl)propyl methanesulfonate
CID 175393654

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylethyl trifluoromethanesulfonate?
The IUPAC name of 1-trimethylsilylethyl trifluoromethanesulfonate (CID 71376011) is 1-trimethylsilylethyl trifluoromethanesulfonate.
What is the SMILES notation for 1-trimethylsilylethyl trifluoromethanesulfonate?
The canonical SMILES for 1-trimethylsilylethyl trifluoromethanesulfonate is CC(OS(=O)(=O)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylethyl trifluoromethanesulfonate?
The InChIKey is KODGJZMAASNPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3O3SSi/c1-5(14(2,3)4)12-13(10,11)6(7,8)9/h5H,1-4H3.
What are the key properties of 1-trimethylsilylethyl trifluoromethanesulfonate?
1-trimethylsilylethyl trifluoromethanesulfonate has a molecular weight of 250.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylethyl trifluoromethanesulfonate is sourced from PubChem (CID 71376011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).