CID 88500193

C7H16F3O3SSi — CID 88500193

IUPAC—
SMILESCC[Si](CC)CC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H15Si.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyOYUCJNBFHFDJFO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.93
Rot. Bonds3

About CID 88500193

CID 88500193 (PubChem CID 88500193) has the molecular formula C7H16F3O3SSi and a molecular weight of 265.35 g/mol.

Molecular Properties

Compound NameCID 88500193
PubChem CID88500193
Molecular FormulaC7H16F3O3SSi
Molecular Weight265.35 g/mol
Exact Mass265.05
IUPAC Name—
SMILESCC[Si](CC)CC.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C6H15Si.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7)
InChIKeyOYUCJNBFHFDJFO-UHFFFAOYSA-N
XLogP2.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175559572
CID 175559572
tricosane;trifluoromethanesulfonic acid
CID 161255361
methanethiol;trifluoromethanesulfonic acid
CID 171923949
iodomethane;trifluoromethanesulfonic acid
CID 87959782
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
platinum;trifluoromethanesulfonic acid
CID 87655055
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
CID 160972181
CID 160972181
CID 86627681
CID 86627681
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701

Frequently Asked Questions

What is the IUPAC name of CID 88500193?
The IUPAC name of CID 88500193 (CID 88500193) is not available.
What is the SMILES notation for CID 88500193?
The canonical SMILES for CID 88500193 is CC[Si](CC)CC.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of CID 88500193?
The InChIKey is OYUCJNBFHFDJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Si.CHF3O3S/c1-4-7(5-2)6-3;2-1(3,4)8(5,6)7/h4-6H2,1-3H3;(H,5,6,7).
What are the key properties of CID 88500193?
CID 88500193 has a molecular weight of 265.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88500193 is sourced from PubChem (CID 88500193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).