chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)

C5H11ClF6O6S2Si — CID 162109712

IUPACchloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)
SMILESC[Si](C)(C)Cl.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C3H9ClSi.2CHF3O3S/c1-5(2,3)4;2*2-1(3,4)8(5,6)7/h1-3H3;2*(H,5,6,7)
InChIKeyZFZHROMOTHFSRF-UHFFFAOYSA-N
MW408.80 g/mol
LogP2.85
Rot. Bonds

About chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)

chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid) (PubChem CID 162109712) has the molecular formula C5H11ClF6O6S2Si and a molecular weight of 408.80 g/mol. Its IUPAC name is chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Namechloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)
PubChem CID162109712
Molecular FormulaC5H11ClF6O6S2Si
Molecular Weight408.80 g/mol
Exact Mass407.94
IUPAC Namechloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)
SMILESC[Si](C)(C)Cl.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C3H9ClSi.2CHF3O3S/c1-5(2,3)4;2*2-1(3,4)8(5,6)7/h1-3H3;2*(H,5,6,7)
InChIKeyZFZHROMOTHFSRF-UHFFFAOYSA-N
XLogP2.85
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
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CID 87959782
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CID 171923949
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
CID 160972181
CID 160972181
N,N-dimethylmethanamine;silicic acid;trifluoromethanesulfonic acid
CID 174409588
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356

Frequently Asked Questions

What is the IUPAC name of chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)?
The IUPAC name of chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid) (CID 162109712) is chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid) is C[Si](C)(C)Cl.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)?
The InChIKey is ZFZHROMOTHFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClSi.2CHF3O3S/c1-5(2,3)4;2*2-1(3,4)8(5,6)7/h1-3H3;2*(H,5,6,7).
What are the key properties of chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)?
chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid) has a molecular weight of 408.80 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 162109712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).